CID 14769104

Methyl 4-(methylamino)butanoate hydrochloride

Structural Information

Molecular Formula
C6H13NO2
SMILES
CNCCCC(=O)OC
InChI
InChI=1S/C6H13NO2/c1-7-5-3-4-6(8)9-2/h7H,3-5H2,1-2H3
InChIKey
NCHRVWIOGHJADK-UHFFFAOYSA-N
Compound name
methyl 4-(methylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

330
Patents

131.09464 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 128.1
[M+Na]+ 154.08386 134.6
[M-H]- 130.08736 128.5
[M+NH4]+ 149.12846 150.0
[M+K]+ 170.05780 135.1
[M+H-H2O]+ 114.09190 123.2
[M+HCOO]- 176.09284 152.7
[M+CH3COO]- 190.10849 175.1
[M+Na-2H]- 152.06931 134.2
[M]+ 131.09409 130.1
[M]- 131.09519 130.1
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