CID 16641505

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

Structural Information

Molecular Formula
C12H15N3
SMILES
CN1C=CN=C1C(CC2=CC=CC=C2)N
InChI
InChI=1S/C12H15N3/c1-15-8-7-14-12(15)11(13)9-10-5-3-2-4-6-10/h2-8,11H,9,13H2,1H3
InChIKey
HBGVXAOFVOEQFE-UHFFFAOYSA-N
Compound name
1-(1-methylimidazol-2-yl)-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.1266 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.133876 145.3
[M+Na]+ 224.115818 152.5
[M-H]- 200.119324 149.0
[M+NH4]+ 219.160423 162.9
[M+K]+ 240.089758 149.1
[M+H-H2O]+ 184.123860 136.7
[M+HCOO]- 246.124801 168.0
[M+CH3COO]- 260.140451 187.4
[M+Na-2H]- 222.101266 149.4
[M]+ 201.12605142 143.6
[M]- 201.12714858 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

No patent data available for this compound.