CID 12318778

61587-92-6

Structural Information

Molecular Formula
C9H8N2O
SMILES
CC1=CC2=C(C=C1C=O)N=CN2
InChI
InChI=1S/C9H8N2O/c1-6-2-8-9(11-5-10-8)3-7(6)4-12/h2-5H,1H3,(H,10,11)
InChIKey
YSYNRHMXRLHYAN-UHFFFAOYSA-N
Compound name
6-methyl-1H-benzimidazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

160.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 131.0
[M+Na]+ 183.05288 145.2
[M+NH4]+ 178.09748 139.5
[M+K]+ 199.02682 140.3
[M-H]- 159.05638 132.0
[M+Na-2H]- 181.03833 137.7
[M]+ 160.06311 133.3
[M]- 160.06421 133.3
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

patents stripe