CID 1073273

1-(propan-2-yl)-1h-1,3-benzodiazole-2-carbaldehyde

Structural Information

Molecular Formula
C11H12N2O
SMILES
CC(C)N1C2=CC=CC=C2N=C1C=O
InChI
InChI=1S/C11H12N2O/c1-8(2)13-10-6-4-3-5-9(10)12-11(13)7-14/h3-8H,1-2H3
InChIKey
GHWMKMLXYMLFPR-UHFFFAOYSA-N
Compound name
1-propan-2-ylbenzimidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

188.09496 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 139.3
[M+Na]+ 211.08418 150.2
[M-H]- 187.08768 142.1
[M+NH4]+ 206.12878 159.8
[M+K]+ 227.05812 147.1
[M+H-H2O]+ 171.09222 132.4
[M+HCOO]- 233.09316 162.2
[M+CH3COO]- 247.10881 184.1
[M+Na-2H]- 209.06963 145.4
[M]+ 188.09441 142.9
[M]- 188.09551 142.9
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