CID 3040605

2-propoxy-1h-benzimidazole

Structural Information

Molecular Formula
C10H12N2O
SMILES
CCCOC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C10H12N2O/c1-2-7-13-10-11-8-5-3-4-6-9(8)12-10/h3-6H,2,7H2,1H3,(H,11,12)
InChIKey
VJWNLHRQOCVMNI-UHFFFAOYSA-N
Compound name
2-propoxy-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

176.09496 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 135.9
[M+Na]+ 199.08418 145.9
[M-H]- 175.08768 136.9
[M+NH4]+ 194.12878 155.9
[M+K]+ 215.05812 142.3
[M+H-H2O]+ 159.09222 129.0
[M+HCOO]- 221.09316 158.4
[M+CH3COO]- 235.10881 149.5
[M+Na-2H]- 197.06963 144.0
[M]+ 176.09441 138.2
[M]- 176.09551 138.2
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