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]+ 159.03197 128.8
[M+Na]+ 181.01391 138.1
[M-H]- 157.01741 129.5
[M+NH4]+ 176.05851 148.6
[M+K]+ 196.98785 135.3
[M+H-H2O]+ 141.02195 122.8
[M+HCOO]- 203.02289 142.5
[M+CH3COO]- 217.03854 141.9
[M+Na-2H]- 178.99936 135.9
[M]+ 158.02414 127.5
[M]- 158.02524 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.