CID 14840637

66880-55-5

Structural Information

Molecular Formula
C14H28N2O4
SMILES
CC(C)NCCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H28N2O4/c1-10(2)15-9-7-6-8-11(12(17)18)16-13(19)20-14(3,4)5/h10-11,15H,6-9H2,1-5H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKey
JJPXNZZCOCUYDQ-NSHDSACASA-N
Compound name
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(propan-2-ylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

288.2049 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.21218 173.1
[M+Na]+ 311.19412 175.0
[M-H]- 287.19762 171.0
[M+NH4]+ 306.23872 187.4
[M+K]+ 327.16806 175.2
[M+H-H2O]+ 271.20216 167.0
[M+HCOO]- 333.20310 190.7
[M+CH3COO]- 347.21875 206.7
[M+Na-2H]- 309.17957 172.0
[M]+ 288.20435 174.9
[M]- 288.20545 174.9
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