CID 573419

1-methyl-1h-imidazole-4-carbaldehyde

Structural Information

Molecular Formula
C5H6N2O
SMILES
CN1C=C(N=C1)C=O
InChI
InChI=1S/C5H6N2O/c1-7-2-5(3-8)6-4-7/h2-4H,1H3
InChIKey
CQZXDIHVSPZIGF-UHFFFAOYSA-N
Compound name
1-methylimidazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

640
Patents

110.04801 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.05529 119.6
[M+Na]+ 133.03723 131.8
[M+NH4]+ 128.08183 127.6
[M+K]+ 149.01117 128.0
[M-H]- 109.04073 119.7
[M+Na-2H]- 131.02268 125.7
[M]+ 110.04746 121.2
[M]- 110.04856 121.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe