CID 155973708

2-{1h,6h,7h,8h,9h-naphtho[1,2-d]imidazol-2-yl}ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C13H17N3
SMILES
C1CCC2=C(C1)C=CC3=C2N=C(N3)CCN
InChI
InChI=1S/C13H17N3/c14-8-7-12-15-11-6-5-9-3-1-2-4-10(9)13(11)16-12/h5-6H,1-4,7-8,14H2,(H,15,16)
InChIKey
PWAXOUNLCLCTAJ-UHFFFAOYSA-N
Compound name
2-(6,7,8,9-tetrahydro-3H-benzo[e]benzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

215.14224 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 147.2
[M+Na]+ 238.13146 155.4
[M-H]- 214.13496 148.1
[M+NH4]+ 233.17606 166.1
[M+K]+ 254.10540 149.6
[M+H-H2O]+ 198.13950 139.7
[M+HCOO]- 260.14044 165.9
[M+CH3COO]- 274.15609 158.7
[M+Na-2H]- 236.11691 153.5
[M]+ 215.14169 143.9
[M]- 215.14279 143.9
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

No patent data available for this compound.