CID 24252548

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

Structural Information

Molecular Formula
C11H15N3
SMILES
CC1=CC2=C(C=C1)N(C(=N2)CCN)C
InChI
InChI=1S/C11H15N3/c1-8-3-4-10-9(7-8)13-11(5-6-12)14(10)2/h3-4,7H,5-6,12H2,1-2H3
InChIKey
FXMDYAUMFAPUCR-UHFFFAOYSA-N
Compound name
2-(1,5-dimethylbenzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

189.1266 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.133876 141.4
[M+Na]+ 212.115818 152.5
[M-H]- 188.119324 143.9
[M+NH4]+ 207.160423 161.8
[M+K]+ 228.089758 148.5
[M+H-H2O]+ 172.123860 134.4
[M+HCOO]- 234.124801 165.3
[M+CH3COO]- 248.140451 187.4
[M+Na-2H]- 210.101266 147.4
[M]+ 189.12605142 143.6
[M]- 189.12714858 143.6
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