CID 63925764

3h,4h,6h,7h-pyrano[3,4-d]imidazole-2-carbaldehyde

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C1COCC2=C1N=C(N2)C=O
InChI
InChI=1S/C7H8N2O2/c10-3-7-8-5-1-2-11-4-6(5)9-7/h3H,1-2,4H2,(H,8,9)
InChIKey
SRHIZJRBWFRMCO-UHFFFAOYSA-N
Compound name
3,4,6,7-tetrahydropyrano[3,4-d]imidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.05858 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 128.5
[M+Na]+ 175.04780 136.9
[M-H]- 151.05130 129.4
[M+NH4]+ 170.09240 147.7
[M+K]+ 191.02174 135.5
[M+H-H2O]+ 135.05584 122.0
[M+HCOO]- 197.05678 147.0
[M+CH3COO]- 211.07243 141.6
[M+Na-2H]- 173.03325 135.8
[M]+ 152.05803 126.6
[M]- 152.05913 126.6
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.