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]+ 232.144436 151.6
[M+Na]+ 254.126378 158.6
[M-H]- 230.129884 153.7
[M+NH4]+ 249.170983 165.8
[M+K]+ 270.100318 154.8
[M+H-H2O]+ 214.134420 142.2
[M+HCOO]- 276.135361 167.8
[M+CH3COO]- 290.151011 162.4
[M+Na-2H]- 252.111826 157.5
[M]+ 231.13661142 149.0
[M]- 231.13770858 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.