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]+ 153.065856 128.5
[M+Na]+ 175.047798 136.9
[M-H]- 151.051304 129.4
[M+NH4]+ 170.092403 147.7
[M+K]+ 191.021738 135.5
[M+H-H2O]+ 135.055840 122.0
[M+HCOO]- 197.056781 147.0
[M+CH3COO]- 211.072431 141.6
[M+Na-2H]- 173.033246 135.8
[M]+ 152.05803142 126.6
[M]- 152.05912858 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.