CID 178200147

(3s)-3-[(3s)-3-{[(tert-butoxy)carbonyl]amino}butanamido]butanoic acid

Structural Information

Molecular Formula
C13H24N2O5
SMILES
C[C@@H](CC(=O)N[C@@H](C)CC(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H24N2O5/c1-8(15-12(19)20-13(3,4)5)6-10(16)14-9(2)7-11(17)18/h8-9H,6-7H2,1-5H3,(H,14,16)(H,15,19)(H,17,18)/t8-,9-/m0/s1
InChIKey
INIMBHHUPIONNX-IUCAKERBSA-N
Compound name
(3S)-3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.16852 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.175796 169.2
[M+Na]+ 311.157738 171.5
[M-H]- 287.161244 167.4
[M+NH4]+ 306.202343 183.2
[M+K]+ 327.131678 172.6
[M+H-H2O]+ 271.165780 163.3
[M+HCOO]- 333.166721 186.6
[M+CH3COO]- 347.182371 205.4
[M+Na-2H]- 309.143186 167.6
[M]+ 288.16797142 170.6
[M]- 288.16906858 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.