CID 467287

2-ethyl-1-propoxybenzimidazole

Structural Information

Molecular Formula
C12H16N2O
SMILES
CCCON1C2=CC=CC=C2N=C1CC
InChI
InChI=1S/C12H16N2O/c1-3-9-15-14-11-8-6-5-7-10(11)13-12(14)4-2/h5-8H,3-4,9H2,1-2H3
InChIKey
OZLGSDGAVJGOOH-UHFFFAOYSA-N
Compound name
2-ethyl-1-propoxybenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 144.9
[M+Na]+ 227.11549 155.3
[M-H]- 203.11899 147.2
[M+NH4]+ 222.16009 164.8
[M+K]+ 243.08943 152.1
[M+H-H2O]+ 187.12353 137.5
[M+HCOO]- 249.12447 168.2
[M+CH3COO]- 263.14012 187.1
[M+Na-2H]- 225.10094 151.5
[M]+ 204.12572 150.1
[M]- 204.12682 150.1
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

No patent data available for this compound.