CID 24252554

2-(5,6-dimethoxy-1h-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C11H15N3O2
SMILES
COC1=C(C=C2C(=C1)NC(=N2)CCN)OC
InChI
InChI=1S/C11H15N3O2/c1-15-9-5-7-8(6-10(9)16-2)14-11(13-7)3-4-12/h5-6H,3-4,12H2,1-2H3,(H,13,14)
InChIKey
VVEFQSPJSMJVCB-UHFFFAOYSA-N
Compound name
2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.11642 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12370 147.6
[M+Na]+ 244.10564 157.9
[M-H]- 220.10914 148.7
[M+NH4]+ 239.15024 165.7
[M+K]+ 260.07958 154.2
[M+H-H2O]+ 204.11368 140.5
[M+HCOO]- 266.11462 170.4
[M+CH3COO]- 280.13027 189.1
[M+Na-2H]- 242.09109 153.3
[M]+ 221.11587 150.8
[M]- 221.11697 150.8
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.