CID 469971

[ethyl-[(1-methylbenzimidazol-2-yl)methyl]amino]methanol

Structural Information

Molecular Formula
C12H17N3O
SMILES
CCN(CC1=NC2=CC=CC=C2N1C)CO
InChI
InChI=1S/C12H17N3O/c1-3-15(9-16)8-12-13-10-6-4-5-7-11(10)14(12)2/h4-7,16H,3,8-9H2,1-2H3
InChIKey
VRVROKIMFJSDMR-UHFFFAOYSA-N
Compound name
[ethyl-[(1-methylbenzimidazol-2-yl)methyl]amino]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

219.13716 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14444 149.1
[M+Na]+ 242.12638 158.2
[M-H]- 218.12988 151.5
[M+NH4]+ 237.17098 167.9
[M+K]+ 258.10032 155.4
[M+H-H2O]+ 202.13442 141.4
[M+HCOO]- 264.13536 172.4
[M+CH3COO]- 278.15101 192.8
[M+Na-2H]- 240.11183 155.1
[M]+ 219.13661 152.9
[M]- 219.13771 152.9
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

No patent data available for this compound.