CID 20132751

Methyl azetidine-3-carboxylate hydrochloride

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

1779
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 121.3
[M+Na]+ 138.05255 126.9
[M-H]- 114.05605 122.1
[M+NH4]+ 133.09715 135.3
[M+K]+ 154.02649 129.7
[M+H-H2O]+ 98.060590 110.8
[M+HCOO]- 160.06153 140.7
[M+CH3COO]- 174.07718 169.1
[M+Na-2H]- 136.03800 126.9
[M]+ 115.06278 128.1
[M]- 115.06388 128.1
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