CID 2772787

2-[(1-methyl-1h-1,3-benzodiazol-2-yl)amino]ethan-1-ol

Structural Information

Molecular Formula
C10H13N3O
SMILES
CN1C2=CC=CC=C2N=C1NCCO
InChI
InChI=1S/C10H13N3O/c1-13-9-5-3-2-4-8(9)12-10(13)11-6-7-14/h2-5,14H,6-7H2,1H3,(H,11,12)
InChIKey
AGVCWRQUNMNVHV-UHFFFAOYSA-N
Compound name
2-[(1-methylbenzimidazol-2-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

6
Patents

191.10587 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 139.4
[M+Na]+ 214.09509 149.3
[M-H]- 190.09859 140.7
[M+NH4]+ 209.13969 158.8
[M+K]+ 230.06903 145.6
[M+H-H2O]+ 174.10313 132.3
[M+HCOO]- 236.10407 162.9
[M+CH3COO]- 250.11972 183.4
[M+Na-2H]- 212.08054 147.3
[M]+ 191.10532 141.3
[M]- 191.10642 141.3
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