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]+ 190.13388 141.4
[M+Na]+ 212.11582 152.5
[M-H]- 188.11932 143.9
[M+NH4]+ 207.16042 161.8
[M+K]+ 228.08976 148.5
[M+H-H2O]+ 172.12386 134.4
[M+HCOO]- 234.12480 165.3
[M+CH3COO]- 248.14045 187.4
[M+Na-2H]- 210.10127 147.4
[M]+ 189.12605 143.6
[M]- 189.12715 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