CID 16781696

{3-[(2-methyl-1h-imidazol-1-yl)methyl]phenyl}methanamine

Structural Information

Molecular Formula
C12H15N3
SMILES
CC1=NC=CN1CC2=CC=CC(=C2)CN
InChI
InChI=1S/C12H15N3/c1-10-14-5-6-15(10)9-12-4-2-3-11(7-12)8-13/h2-7H,8-9,13H2,1H3
InChIKey
DVUPGUAHJJFIPS-UHFFFAOYSA-N
Compound name
[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine
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]+ 202.13388 144.9
[M+Na]+ 224.11582 153.4
[M-H]- 200.11932 148.9
[M+NH4]+ 219.16042 162.9
[M+K]+ 240.08976 149.4
[M+H-H2O]+ 184.12386 136.5
[M+HCOO]- 246.12480 168.6
[M+CH3COO]- 260.14045 187.7
[M+Na-2H]- 222.10127 149.5
[M]+ 201.12605 144.2
[M]- 201.12715 144.2
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.