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

8
Patents

191.10587 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.113146 140.6
[M+Na]+ 214.095088 150.2
[M-H]- 190.098594 141.6
[M+NH4]+ 209.139693 159.6
[M+K]+ 230.069028 146.7
[M+H-H2O]+ 174.103130 133.6
[M+HCOO]- 236.104071 162.5
[M+CH3COO]- 250.119721 183.7
[M+Na-2H]- 212.080536 146.2
[M]+ 191.10532142 140.9
[M]- 191.10641858 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