CID 18923029

2-(azetidin-1-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1CN(C1)CC(=O)O
InChI
InChI=1S/C5H9NO2/c7-5(8)4-6-2-1-3-6/h1-4H2,(H,7,8)
InChIKey
SVDWECPQUANQNC-UHFFFAOYSA-N
Compound name
2-(azetidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

115.06333 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 121.1
[M+Na]+ 138.052548 126.6
[M-H]- 114.056054 121.9
[M+NH4]+ 133.097153 135.0
[M+K]+ 154.026488 129.4
[M+H-H2O]+ 98.060590 110.6
[M+HCOO]- 160.061531 140.5
[M+CH3COO]- 174.077181 169.8
[M+Na-2H]- 136.037996 126.7
[M]+ 115.06278142 127.9
[M]- 115.06387858 127.9
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