CID 6852189

N-(3-carboxypropanoyl)-l-norvaline

Structural Information

Molecular Formula
C9H15NO5
SMILES
CCC[C@@H](C(=O)O)NC(=O)CCC(=O)O
InChI
InChI=1S/C9H15NO5/c1-2-3-6(9(14)15)10-7(11)4-5-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1
InChIKey
HRAPDLBXHOBAKA-LURJTMIESA-N
Compound name
(2S)-2-(3-carboxypropanoylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

217.09502 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.102296 148.8
[M+Na]+ 240.084238 152.8
[M-H]- 216.087744 145.8
[M+NH4]+ 235.128843 165.0
[M+K]+ 256.058178 152.6
[M+H-H2O]+ 200.092280 143.2
[M+HCOO]- 262.093221 167.4
[M+CH3COO]- 276.108871 186.5
[M+Na-2H]- 238.069686 148.5
[M]+ 217.09447142 148.9
[M]- 217.09556858 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe