CID 64982520

1-(5-methoxy-1h-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C10H13N3O
SMILES
CC(C1=NC2=C(N1)C=C(C=C2)OC)N
InChI
InChI=1S/C10H13N3O/c1-6(11)10-12-8-4-3-7(14-2)5-9(8)13-10/h3-6H,11H2,1-2H3,(H,12,13)
InChIKey
OBQGRTNYBGWKKA-UHFFFAOYSA-N
Compound name
1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

191.10587 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 140.6
[M+Na]+ 214.09509 150.2
[M-H]- 190.09859 141.6
[M+NH4]+ 209.13969 159.6
[M+K]+ 230.06903 146.7
[M+H-H2O]+ 174.10313 133.6
[M+HCOO]- 236.10407 162.5
[M+CH3COO]- 250.11972 183.7
[M+Na-2H]- 212.08054 146.2
[M]+ 191.10532 140.9
[M]- 191.10642 140.9
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

patents stripe