CID 20132751

100202-39-9

Structural Information

Molecular Formula
C5H9NO2
SMILES
COC(=O)C1CNC1
InChI
InChI=1S/C5H9NO2/c1-8-5(7)4-2-6-3-4/h4,6H,2-3H2,1H3
InChIKey
WGEYNHXHVVYOSK-UHFFFAOYSA-N
Compound name
methyl azetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1661
Patents

115.06333 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 123.0
[M+Na]+ 138.05255 128.3
[M+NH4]+ 133.09715 126.5
[M+K]+ 154.02649 126.2
[M-H]- 114.05605 119.6
[M+Na-2H]- 136.03800 124.6
[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

literature stripe

Patent stripe

patents stripe