CID 193343

2185-16-2

Structural Information

Molecular Formula
C7H14N2O3
SMILES
CC(=O)NCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKey
SRXKAYJJGAAOBP-LURJTMIESA-N
Compound name
(2S)-5-acetamido-2-aminopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

302
Patents

174.10045 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.107726 139.9
[M+Na]+ 197.089668 144.4
[M-H]- 173.093174 138.1
[M+NH4]+ 192.134273 158.2
[M+K]+ 213.063608 144.2
[M+H-H2O]+ 157.097710 134.2
[M+HCOO]- 219.098651 161.3
[M+CH3COO]- 233.114301 183.1
[M+Na-2H]- 195.075116 141.3
[M]+ 174.09990142 137.7
[M]- 174.10099858 137.7
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