CID 20653078

1-methylazetidine-3-carboxylic acid

Structural Information

Molecular Formula
C5H9NO2
SMILES
CN1CC(C1)C(=O)O
InChI
InChI=1S/C5H9NO2/c1-6-2-4(3-6)5(7)8/h4H,2-3H2,1H3,(H,7,8)
InChIKey
OQTWISXQJKXTEM-UHFFFAOYSA-N
Compound name
1-methylazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

342
Patents

115.06333 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 122.9
[M+Na]+ 138.05255 128.6
[M+NH4]+ 133.09715 126.4
[M+K]+ 154.02649 126.7
[M-H]- 114.05605 119.6
[M+Na-2H]- 136.03800 124.2
[M]+ 115.06278 121.3
[M]- 115.06388 121.3
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