CID 306107

2-(acetylamino)butanoic acid

Structural Information

Molecular Formula
C6H11NO3
SMILES
CCC(C(=O)O)NC(=O)C
InChI
InChI=1S/C6H11NO3/c1-3-5(6(9)10)7-4(2)8/h5H,3H2,1-2H3,(H,7,8)(H,9,10)
InChIKey
WZVZUKROCHDMDT-UHFFFAOYSA-N
Compound name
2-acetamidobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

297
Patents

145.0739 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.081176 130.8
[M+Na]+ 168.063118 136.7
[M-H]- 144.066624 129.9
[M+NH4]+ 163.107723 151.1
[M+K]+ 184.037058 137.1
[M+H-H2O]+ 128.071160 126.0
[M+HCOO]- 190.072101 152.3
[M+CH3COO]- 204.087751 175.5
[M+Na-2H]- 166.048566 133.7
[M]+ 145.07335142 130.2
[M]- 145.07444858 130.2
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