CID 191086

Benzeneethanamine, 4-methyl-alpha-phenyl-

Structural Information

Molecular Formula
C15H17N
SMILES
CC1=CC=C(C=C1)CC(C2=CC=CC=C2)N
InChI
InChI=1S/C15H17N/c1-12-7-9-13(10-8-12)11-15(16)14-5-3-2-4-6-14/h2-10,15H,11,16H2,1H3
InChIKey
ZICDZTXDTPZBKH-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

428
Patents

211.1361 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.143376 149.0
[M+Na]+ 234.125318 155.0
[M-H]- 210.128824 155.0
[M+NH4]+ 229.169923 167.0
[M+K]+ 250.099258 150.9
[M+H-H2O]+ 194.133360 141.6
[M+HCOO]- 256.134301 172.5
[M+CH3COO]- 270.149951 191.2
[M+Na-2H]- 232.110766 153.9
[M]+ 211.13555142 146.5
[M]- 211.13664858 146.5
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