CID 22865769

(3s)-3-(methylamino)butanoic acid hydrochloride

Structural Information

Molecular Formula
C5H11NO2
SMILES
C[C@H](CC(=O)O)NC
InChI
InChI=1S/C5H11NO2/c1-4(6-2)3-5(7)8/h4,6H,3H2,1-2H3,(H,7,8)/t4-/m1/s1
InChIKey
VWQSQYOPIHNGBY-SCSAIBSYSA-N
Compound name
(3R)-3-(methylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

117.07898 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08626 124.2
[M+Na]+ 140.06820 132.5
[M+NH4]+ 135.11280 131.2
[M+K]+ 156.04214 129.1
[M-H]- 116.07170 122.8
[M+Na-2H]- 138.05365 126.8
[M]+ 117.07843 124.5
[M]- 117.07953 124.5
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