CID 17040185

169950-87-2

Structural Information

Molecular Formula
C14H24N2O5
SMILES
CC(C)[C@@H](C(=O)O)N1CC[C@@H](C1=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H24N2O5/c1-8(2)10(12(18)19)16-7-6-9(11(16)17)15-13(20)21-14(3,4)5/h8-10H,6-7H2,1-5H3,(H,15,20)(H,18,19)/t9-,10-/m0/s1
InChIKey
KTNDZURPIXJJQU-UWVGGRQHSA-N
Compound name
(2S)-3-methyl-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

300.16852 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17580 170.0
[M+Na]+ 323.15774 173.6
[M-H]- 299.16124 170.5
[M+NH4]+ 318.20234 184.5
[M+K]+ 339.13168 173.8
[M+H-H2O]+ 283.16578 164.3
[M+HCOO]- 345.16672 185.1
[M+CH3COO]- 359.18237 204.4
[M+Na-2H]- 321.14319 166.9
[M]+ 300.16797 170.1
[M]- 300.16907 170.1
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

patents stripe