CID 75891

3-(methylamino)propanoic acid

Structural Information

Molecular Formula
C4H9NO2
SMILES
CNCCC(=O)O
InChI
InChI=1S/C4H9NO2/c1-5-3-2-4(6)7/h5H,2-3H2,1H3,(H,6,7)
InChIKey
VDIPNVCWMXZNFY-UHFFFAOYSA-N
Compound name
3-(methylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

1747
Patents

103.06333 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.07061 119.3
[M+Na]+ 126.05255 128.2
[M+NH4]+ 121.09715 126.6
[M+K]+ 142.02649 124.2
[M-H]- 102.05605 118.2
[M+Na-2H]- 124.03800 122.6
[M]+ 103.06278 119.8
[M]- 103.06388 119.8
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