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]+ 160.05237 121.1
[M+Na]+ 182.03431 129.2
[M-H]- 158.03781 126.0
[M+NH4]+ 177.07891 137.9
[M+K]+ 198.00825 130.2
[M+H-H2O]+ 142.04235 112.4
[M+HCOO]- 204.04329 137.6
[M+CH3COO]- 218.05894 175.9
[M+Na-2H]- 180.01976 129.3
[M]+ 159.04454 130.7
[M]- 159.04564 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.