CID 962544

1-ethyl-1h-1,3-benzodiazole-2-carbaldehyde

Structural Information

Molecular Formula
C10H10N2O
SMILES
CCN1C2=CC=CC=C2N=C1C=O
InChI
InChI=1S/C10H10N2O/c1-2-12-9-6-4-3-5-8(9)11-10(12)7-13/h3-7H,2H2,1H3
InChIKey
ZIOUQTZLLSBGDM-UHFFFAOYSA-N
Compound name
1-ethylbenzimidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

174.07932 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 134.3
[M+Na]+ 197.06854 145.9
[M-H]- 173.07204 137.1
[M+NH4]+ 192.11314 155.4
[M+K]+ 213.04248 142.6
[M+H-H2O]+ 157.07658 127.4
[M+HCOO]- 219.07752 158.5
[M+CH3COO]- 233.09317 180.3
[M+Na-2H]- 195.05399 142.1
[M]+ 174.07877 138.1
[M]- 174.07987 138.1
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