CID 5304766

68426-83-5

Structural Information

Molecular Formula
C10H12N2O2
SMILES
CN1C2=C(C=C(C=C2)OC)N=C1CO
InChI
InChI=1S/C10H12N2O2/c1-12-9-4-3-7(14-2)5-8(9)11-10(12)6-13/h3-5,13H,6H2,1-2H3
InChIKey
KWQYYNACBOPARZ-UHFFFAOYSA-N
Compound name
(5-methoxy-1-methylbenzimidazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

192.08987 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 139.1
[M+Na]+ 215.07909 150.8
[M-H]- 191.08259 140.8
[M+NH4]+ 210.12369 159.0
[M+K]+ 231.05303 147.7
[M+H-H2O]+ 175.08713 132.6
[M+HCOO]- 237.08807 161.7
[M+CH3COO]- 251.10372 181.7
[M+Na-2H]- 213.06454 145.7
[M]+ 192.08932 143.6
[M]- 192.09042 143.6
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