CID 13804505

Azetidine-1-carbonyl chloride

Structural Information

Molecular Formula
C4H6ClNO
SMILES
C1CN(C1)C(=O)Cl
InChI
InChI=1S/C4H6ClNO/c5-4(7)6-2-1-3-6/h1-3H2
InChIKey
LJPIQCGBOGKQOK-UHFFFAOYSA-N
Compound name
azetidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

119.013794 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.02107 114.8
[M+Na]+ 142.00301 122.4
[M-H]- 118.00652 116.9
[M+NH4]+ 137.04762 130.4
[M+K]+ 157.97695 123.7
[M+H-H2O]+ 102.01105 105.5
[M+HCOO]- 164.01200 131.5
[M+CH3COO]- 178.02764 170.7
[M+Na-2H]- 139.98846 121.5
[M]+ 119.01325 123.4
[M]- 119.01434 123.4
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