CID 13170816

2-(4-phenyl-1h-imidazol-2-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C11H13N3
SMILES
C1=CC=C(C=C1)C2=CN=C(N2)CCN
InChI
InChI=1S/C11H13N3/c12-7-6-11-13-8-10(14-11)9-4-2-1-3-5-9/h1-5,8H,6-7,12H2,(H,13,14)
InChIKey
HSNDOBKMAPOQBE-UHFFFAOYSA-N
Compound name
2-(5-phenyl-1H-imidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

187.11095 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 140.3
[M+Na]+ 210.10017 147.9
[M-H]- 186.10367 142.7
[M+NH4]+ 205.14477 157.8
[M+K]+ 226.07411 143.3
[M+H-H2O]+ 170.10821 132.1
[M+HCOO]- 232.10915 162.8
[M+CH3COO]- 246.12480 152.6
[M+Na-2H]- 208.08562 145.8
[M]+ 187.11040 137.0
[M]- 187.11150 137.0
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