CID 15072058

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

Structural Information

Molecular Formula
C11H10N2O
SMILES
C1CC1N2C3=CC=CC=C3N=C2C=O
InChI
InChI=1S/C11H10N2O/c14-7-11-12-9-3-1-2-4-10(9)13(11)8-5-6-8/h1-4,7-8H,5-6H2
InChIKey
CFERBSZRGSOXQU-UHFFFAOYSA-N
Compound name
1-cyclopropylbenzimidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

186.07932 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08660 143.5
[M+Na]+ 209.06854 156.5
[M-H]- 185.07204 149.9
[M+NH4]+ 204.11314 158.9
[M+K]+ 225.04248 151.3
[M+H-H2O]+ 169.07658 135.9
[M+HCOO]- 231.07752 167.5
[M+CH3COO]- 245.09317 157.4
[M+Na-2H]- 207.05399 150.3
[M]+ 186.07877 148.3
[M]- 186.07987 148.3
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