CID 71757738

(2-amino-1-ethyl-1h-1,3-benzodiazol-5-yl)methanol

Structural Information

Molecular Formula
C10H13N3O
SMILES
CCN1C2=C(C=C(C=C2)CO)N=C1N
InChI
InChI=1S/C10H13N3O/c1-2-13-9-4-3-7(6-14)5-8(9)12-10(13)11/h3-5,14H,2,6H2,1H3,(H2,11,12)
InChIKey
HONZTPAEKOEZSI-UHFFFAOYSA-N
Compound name
(2-amino-1-ethylbenzimidazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.10587 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 140.3
[M+Na]+ 214.09509 151.2
[M-H]- 190.09859 141.6
[M+NH4]+ 209.13969 159.7
[M+K]+ 230.06903 147.2
[M+H-H2O]+ 174.10313 133.6
[M+HCOO]- 236.10407 163.2
[M+CH3COO]- 250.11972 184.0
[M+Na-2H]- 212.08054 146.4
[M]+ 191.10532 141.7
[M]- 191.10642 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.