CID 82417740

3-azabicyclo[3.1.0]hexane-3-carbonyl chloride

Structural Information

Molecular Formula
C6H8ClNO
SMILES
C1C2C1CN(C2)C(=O)Cl
InChI
InChI=1S/C6H8ClNO/c7-6(9)8-2-4-1-5(4)3-8/h4-5H,1-3H2
InChIKey
UGKOYSCMKVHANS-UHFFFAOYSA-N
Compound name
3-azabicyclo[3.1.0]hexane-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.02943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.03671 130.3
[M+Na]+ 168.01865 141.3
[M-H]- 144.02215 134.1
[M+NH4]+ 163.06325 149.1
[M+K]+ 183.99259 137.3
[M+H-H2O]+ 128.02669 125.1
[M+HCOO]- 190.02763 147.0
[M+CH3COO]- 204.04328 175.8
[M+Na-2H]- 166.00410 134.9
[M]+ 145.02888 133.1
[M]- 145.02998 133.1
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

No patent data available for this compound.