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]+ 160.05237 134.6
[M+Na]+ 182.03431 144.5
[M-H]- 158.03781 139.5
[M+NH4]+ 177.07891 153.7
[M+K]+ 198.00825 141.4
[M+H-H2O]+ 142.04235 129.5
[M+HCOO]- 204.04329 150.9
[M+CH3COO]- 218.05894 176.1
[M+Na-2H]- 180.01976 139.3
[M]+ 159.04454 135.8
[M]- 159.04564 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.