CID 204605

Benzimidazole, 2-(2-morpholinoethyl)-

Structural Information

Molecular Formula
C13H17N3O
SMILES
C1COCCN1CCC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C13H17N3O/c1-2-4-12-11(3-1)14-13(15-12)5-6-16-7-9-17-10-8-16/h1-4H,5-10H2,(H,14,15)
InChIKey
CKRDLQLQCBZUBQ-UHFFFAOYSA-N
Compound name
4-[2-(1H-benzimidazol-2-yl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.13716 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 151.6
[M+Na]+ 254.12638 158.6
[M-H]- 230.12988 153.7
[M+NH4]+ 249.17098 165.8
[M+K]+ 270.10032 154.8
[M+H-H2O]+ 214.13442 142.2
[M+HCOO]- 276.13536 167.8
[M+CH3COO]- 290.15101 162.4
[M+Na-2H]- 252.11183 157.5
[M]+ 231.13661 149.0
[M]- 231.13771 149.0
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.