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

1
Patents

145.02943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.036706 130.3
[M+Na]+ 168.018648 141.3
[M-H]- 144.022154 134.1
[M+NH4]+ 163.063253 149.1
[M+K]+ 183.992588 137.3
[M+H-H2O]+ 128.026690 125.1
[M+HCOO]- 190.027631 147.0
[M+CH3COO]- 204.043281 175.8
[M+Na-2H]- 166.004096 134.9
[M]+ 145.02888142 133.1
[M]- 145.02997858 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

patents stripe