CID 541580

3-[acetyl(methyl)amino]propanoic acid

Structural Information

Molecular Formula
C6H11NO3
SMILES
CC(=O)N(C)CCC(=O)O
InChI
InChI=1S/C6H11NO3/c1-5(8)7(2)4-3-6(9)10/h3-4H2,1-2H3,(H,9,10)
InChIKey
CUAUMKXJKVIJHG-UHFFFAOYSA-N
Compound name
3-[acetyl(methyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

145.0739 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.08118 130.7
[M+Na]+ 168.06312 138.6
[M+NH4]+ 163.10772 136.9
[M+K]+ 184.03706 135.9
[M-H]- 144.06662 128.8
[M+Na-2H]- 166.04857 132.7
[M]+ 145.07335 130.8
[M]- 145.07445 130.8
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