CID 43649266

1426291-34-0

Structural Information

Molecular Formula
C11H13N3
SMILES
CC1=CC=C(C=C1)C2=CN=C(N2)CN
InChI
InChI=1S/C11H13N3/c1-8-2-4-9(5-3-8)10-7-13-11(6-12)14-10/h2-5,7H,6,12H2,1H3,(H,13,14)
InChIKey
RRTFBILUUADTJV-UHFFFAOYSA-N
Compound name
[5-(4-methylphenyl)-1H-imidazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

187.11095 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.118226 140.8
[M+Na]+ 210.100168 149.4
[M-H]- 186.103674 143.6
[M+NH4]+ 205.144773 158.7
[M+K]+ 226.074108 144.7
[M+H-H2O]+ 170.108210 132.9
[M+HCOO]- 232.109151 163.3
[M+CH3COO]- 246.124801 153.4
[M+Na-2H]- 208.085616 145.5
[M]+ 187.11040142 137.9
[M]- 187.11149858 137.9
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

patents stripe