CID 5195236

2-(1h-imidazol-1-yl)-1-phenylethan-1-amine

Structural Information

Molecular Formula
C11H13N3
SMILES
C1=CC=C(C=C1)C(CN2C=CN=C2)N
InChI
InChI=1S/C11H13N3/c12-11(8-14-7-6-13-9-14)10-4-2-1-3-5-10/h1-7,9,11H,8,12H2
InChIKey
NYQHWEIQMDYXSR-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

28
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 140.4
[M+Na]+ 210.10017 147.1
[M-H]- 186.10367 143.9
[M+NH4]+ 205.14477 158.2
[M+K]+ 226.07411 144.0
[M+H-H2O]+ 170.10821 131.8
[M+HCOO]- 232.10915 163.4
[M+CH3COO]- 246.12480 152.9
[M+Na-2H]- 208.08562 145.9
[M]+ 187.11040 138.0
[M]- 187.11150 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe