CID 2795887

68282-53-1

Structural Information

Molecular Formula
C5H6N2O
SMILES
CC1=C(N=CN1)C=O
InChI
InChI=1S/C5H6N2O/c1-4-5(2-8)7-3-6-4/h2-3H,1H3,(H,6,7)
InChIKey
KMWCSNCNHSEXIF-UHFFFAOYSA-N
Compound name
5-methyl-1H-imidazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1204
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 120.1
[M+Na]+ 133.03723 131.8
[M+NH4]+ 128.08183 127.8
[M+K]+ 149.01117 128.3
[M-H]- 109.04073 119.7
[M+Na-2H]- 131.02268 125.6
[M]+ 110.04746 121.4
[M]- 110.04856 121.4
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