CID 55303419

1365411-50-2

Structural Information

Molecular Formula
C5H9NO2
SMILES
CC1(CNC1)C(=O)O
InChI
InChI=1S/C5H9NO2/c1-5(4(7)8)2-6-3-5/h6H,2-3H2,1H3,(H,7,8)
InChIKey
KFNKFPRGDANMEX-UHFFFAOYSA-N
Compound name
3-methylazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

115.06333 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 124.6
[M+Na]+ 138.052548 130.5
[M-H]- 114.056054 124.4
[M+NH4]+ 133.097153 139.8
[M+K]+ 154.026488 132.5
[M+H-H2O]+ 98.060590 115.6
[M+HCOO]- 160.061531 142.4
[M+CH3COO]- 174.077181 166.8
[M+Na-2H]- 136.037996 130.5
[M]+ 115.06278142 129.8
[M]- 115.06387858 129.8
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