CID 583867

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

Structural Information

Molecular Formula
C9H11N3O
SMILES
C1=CC=C2C(=C1)NC(=N2)NCCO
InChI
InChI=1S/C9H11N3O/c13-6-5-10-9-11-7-3-1-2-4-8(7)12-9/h1-4,13H,5-6H2,(H2,10,11,12)
InChIKey
FGPOQZOBPMSSAQ-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

53
Patents

177.09021 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.097486 134.5
[M+Na]+ 200.079428 143.5
[M-H]- 176.082934 134.2
[M+NH4]+ 195.124033 153.4
[M+K]+ 216.053368 139.2
[M+H-H2O]+ 160.087470 127.6
[M+HCOO]- 222.088411 156.9
[M+CH3COO]- 236.104061 147.2
[M+Na-2H]- 198.064876 143.3
[M]+ 177.08966142 133.9
[M]- 177.09075858 133.9
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

patents stripe