CID 155821332

7-(chloromethyl)-5-oxa-6-azaspiro[3.4]oct-6-ene

Structural Information

Molecular Formula
C7H10ClNO
SMILES
C1CC2(C1)CC(=NO2)CCl
InChI
InChI=1S/C7H10ClNO/c8-5-6-4-7(10-9-6)2-1-3-7/h1-5H2
InChIKey
FDOXWQKYHVDDDB-UHFFFAOYSA-N
Compound name
7-(chloromethyl)-5-oxa-6-azaspiro[3.4]oct-6-ene
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 121.1
[M+Na]+ 182.034308 129.2
[M-H]- 158.037814 126.0
[M+NH4]+ 177.078913 137.9
[M+K]+ 198.008248 130.2
[M+H-H2O]+ 142.042350 112.4
[M+HCOO]- 204.043291 137.6
[M+CH3COO]- 218.058941 175.9
[M+Na-2H]- 180.019756 129.3
[M]+ 159.04454142 130.7
[M]- 159.04563858 130.7
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.