CID 58669481

2-(1-methylazetidin-3-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C6H11NO2
SMILES
CN1CC(C1)CC(=O)O
InChI
InChI=1S/C6H11NO2/c1-7-3-5(4-7)2-6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKey
FWXIDVNYQQPRNY-UHFFFAOYSA-N
Compound name
2-(1-methylazetidin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

129.07898 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 125.8
[M+Na]+ 152.068198 131.7
[M-H]- 128.071704 126.7
[M+NH4]+ 147.112803 139.4
[M+K]+ 168.042138 134.3
[M+H-H2O]+ 112.076240 115.4
[M+HCOO]- 174.077181 144.7
[M+CH3COO]- 188.092831 173.8
[M+Na-2H]- 150.053646 130.1
[M]+ 129.07843142 133.3
[M]- 129.07952858 133.3
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