CID 155821406

7-(chloromethyl)-2,5-dioxa-6-azaspiro[3.4]oct-6-ene

Structural Information

Molecular Formula
C6H8ClNO2
SMILES
C1C(=NOC12COC2)CCl
InChI
InChI=1S/C6H8ClNO2/c7-2-5-1-6(10-8-5)3-9-4-6/h1-4H2
InChIKey
HZHSAIPNRLRKMC-UHFFFAOYSA-N
Compound name
7-(chloromethyl)-2,5-dioxa-6-azaspiro[3.4]oct-6-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.02435 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.031626 117.2
[M+Na]+ 184.013568 125.4
[M-H]- 160.017074 122.7
[M+NH4]+ 179.058173 132.6
[M+K]+ 199.987508 128.2
[M+H-H2O]+ 144.021610 108.8
[M+HCOO]- 206.022551 133.2
[M+CH3COO]- 220.038201 175.1
[M+Na-2H]- 181.999016 126.8
[M]+ 161.02380142 128.3
[M]- 161.02489858 128.3
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.