CID 1417910

(1r)-1-[4-(1h-imidazol-1-yl)phenyl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C11H13N3
SMILES
C[C@@H](C1=CC=C(C=C1)N2C=CN=C2)N
InChI
InChI=1S/C11H13N3/c1-9(12)10-2-4-11(5-3-10)14-7-6-13-8-14/h2-9H,12H2,1H3/t9-/m0/s1
InChIKey
OYVAMJZOLMOBIL-VIFPVBQESA-N
Compound name
(1S)-1-(4-imidazol-1-ylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

187.11095 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 140.7
[M+Na]+ 210.10017 148.4
[M-H]- 186.10367 144.6
[M+NH4]+ 205.14477 158.9
[M+K]+ 226.07411 145.2
[M+H-H2O]+ 170.10821 132.4
[M+HCOO]- 232.10915 163.7
[M+CH3COO]- 246.12480 153.5
[M+Na-2H]- 208.08562 145.4
[M]+ 187.11040 138.7
[M]- 187.11150 138.7
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.