CID 19428628

4-methyl-1h-imidazole-2-carboxaldehyde

Structural Information

Molecular Formula
C5H6N2O
SMILES
CC1=CN=C(N1)C=O
InChI
InChI=1S/C5H6N2O/c1-4-2-6-5(3-8)7-4/h2-3H,1H3,(H,6,7)
InChIKey
AEYQOYLTLFOCHR-UHFFFAOYSA-N
Compound name
5-methyl-1H-imidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

110.04801 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.05529 118.7
[M+Na]+ 133.03723 128.6
[M-H]- 109.04073 118.8
[M+NH4]+ 128.08183 140.2
[M+K]+ 149.01117 126.9
[M+H-H2O]+ 93.045270 112.6
[M+HCOO]- 155.04621 141.7
[M+CH3COO]- 169.06186 164.3
[M+Na-2H]- 131.02268 125.4
[M]+ 110.04746 118.1
[M]- 110.04856 118.1
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