CID 681888

1-morpholin-4-ylmethyl-1h-benzoimidazole

Structural Information

Molecular Formula
C12H15N3O
SMILES
C1COCCN1CN2C=NC3=CC=CC=C32
InChI
InChI=1S/C12H15N3O/c1-2-4-12-11(3-1)13-9-15(12)10-14-5-7-16-8-6-14/h1-4,9H,5-8,10H2
InChIKey
PBSHUGRPQUPJAQ-UHFFFAOYSA-N
Compound name
4-(benzimidazol-1-ylmethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

217.1215 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 146.8
[M+Na]+ 240.11072 154.7
[M-H]- 216.11422 150.5
[M+NH4]+ 235.15532 162.3
[M+K]+ 256.08466 152.0
[M+H-H2O]+ 200.11876 137.3
[M+HCOO]- 262.11970 164.8
[M+CH3COO]- 276.13535 158.7
[M+Na-2H]- 238.09617 153.7
[M]+ 217.12095 145.7
[M]- 217.12205 145.7
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