CID 93494623

(1r,5s)-3-azabicyclo[3.2.0]heptane-3-carbonyl chloride

Structural Information

Molecular Formula
C7H10ClNO
SMILES
C1C[C@@H]2[C@H]1CN(C2)C(=O)Cl
InChI
InChI=1S/C7H10ClNO/c8-7(10)9-3-5-1-2-6(5)4-9/h5-6H,1-4H2/t5-,6+
InChIKey
XBGXAONDHMFSCO-OLQVQODUSA-N
Compound name
(1R,5S)-3-azabicyclo[3.2.0]heptane-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.04509 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.052366 126.4
[M+Na]+ 182.034308 133.8
[M-H]- 158.037814 129.2
[M+NH4]+ 177.078913 143.3
[M+K]+ 198.008248 133.9
[M+H-H2O]+ 142.042350 117.3
[M+HCOO]- 204.043291 141.3
[M+CH3COO]- 218.058941 178.3
[M+Na-2H]- 180.019756 130.5
[M]+ 159.04454142 134.6
[M]- 159.04563858 134.6
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.