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]+ 162.03163 117.2
[M+Na]+ 184.01357 125.4
[M-H]- 160.01707 122.7
[M+NH4]+ 179.05817 132.6
[M+K]+ 199.98751 128.2
[M+H-H2O]+ 144.02161 108.8
[M+HCOO]- 206.02255 133.2
[M+CH3COO]- 220.03820 175.1
[M+Na-2H]- 181.99902 126.8
[M]+ 161.02380 128.3
[M]- 161.02490 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.