CID 72213474

1260663-67-9

Structural Information

Molecular Formula
C6H7ClN2O
SMILES
C1COCC2=C1N=C(N2)Cl
InChI
InChI=1S/C6H7ClN2O/c7-6-8-4-1-2-10-3-5(4)9-6/h1-3H2,(H,8,9)
InChIKey
TVWSOGKRLIETSG-UHFFFAOYSA-N
Compound name
2-chloro-3,4,6,7-tetrahydropyrano[3,4-d]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.02469 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.031966 128.8
[M+Na]+ 181.013908 138.1
[M-H]- 157.017414 129.5
[M+NH4]+ 176.058513 148.6
[M+K]+ 196.987848 135.3
[M+H-H2O]+ 141.021950 122.8
[M+HCOO]- 203.022891 142.5
[M+CH3COO]- 217.038541 141.9
[M+Na-2H]- 178.999356 135.9
[M]+ 158.02414142 127.5
[M]- 158.02523858 127.5
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.