CID 155822980

5-azaspiro[2.4]heptane-5-carbonyl chloride

Structural Information

Molecular Formula
C7H10ClNO
SMILES
C1CC12CCN(C2)C(=O)Cl
InChI
InChI=1S/C7H10ClNO/c8-6(10)9-4-3-7(5-9)1-2-7/h1-5H2
InChIKey
IORACNZASRTVNK-UHFFFAOYSA-N
Compound name
5-azaspiro[2.4]heptane-5-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.04509 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.052366 134.6
[M+Na]+ 182.034308 144.5
[M-H]- 158.037814 139.5
[M+NH4]+ 177.078913 153.7
[M+K]+ 198.008248 141.4
[M+H-H2O]+ 142.042350 129.5
[M+HCOO]- 204.043291 150.9
[M+CH3COO]- 218.058941 176.1
[M+Na-2H]- 180.019756 139.3
[M]+ 159.04454142 135.8
[M]- 159.04563858 135.8
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.