CID 214969

1-pentoxymethylbenzimidazole oxalate

Structural Information

Molecular Formula
C13H18N2O
SMILES
CCCCCOCN1C=NC2=CC=CC=C21
InChI
InChI=1S/C13H18N2O/c1-2-3-6-9-16-11-15-10-14-12-7-4-5-8-13(12)15/h4-5,7-8,10H,2-3,6,9,11H2,1H3
InChIKey
KEKPQUZJGOLYKC-UHFFFAOYSA-N
Compound name
1-(pentoxymethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1419 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 149.6
[M+Na]+ 241.13112 163.1
[M+NH4]+ 236.17572 158.0
[M+K]+ 257.10506 156.8
[M-H]- 217.13462 151.1
[M+Na-2H]- 239.11657 156.2
[M]+ 218.14135 151.9
[M]- 218.14245 151.9
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

No patent data available for this compound.