CID 63976862

Methyl[1-(1-methyl-1h-imidazol-2-yl)-2-phenylethyl]amine

Structural Information

Molecular Formula
C13H17N3
SMILES
CNC(CC1=CC=CC=C1)C2=NC=CN2C
InChI
InChI=1S/C13H17N3/c1-14-12(13-15-8-9-16(13)2)10-11-6-4-3-5-7-11/h3-9,12,14H,10H2,1-2H3
InChIKey
ZZLJVAGVEBSSAC-UHFFFAOYSA-N
Compound name
N-methyl-1-(1-methylimidazol-2-yl)-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.14224 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.149516 149.4
[M+Na]+ 238.131458 156.2
[M-H]- 214.134964 153.5
[M+NH4]+ 233.176063 166.7
[M+K]+ 254.105398 152.9
[M+H-H2O]+ 198.139500 140.6
[M+HCOO]- 260.140441 172.4
[M+CH3COO]- 274.156091 191.1
[M+Na-2H]- 236.116906 154.1
[M]+ 215.14169142 149.1
[M]- 215.14278858 149.1
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.