CID 2756631

55096-86-1

Structural Information

Molecular Formula
C15H17N
SMILES
CC1=CC=C(C=C1)CNCC2=CC=CC=C2
InChI
InChI=1S/C15H17N/c1-13-7-9-15(10-8-13)12-16-11-14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3
InChIKey
DEIYMPNQHPOHSK-UHFFFAOYSA-N
Compound name
N-[(4-methylphenyl)methyl]-1-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

211.1361 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.14338 147.8
[M+Na]+ 234.12532 154.1
[M-H]- 210.12882 154.2
[M+NH4]+ 229.16992 166.1
[M+K]+ 250.09926 149.8
[M+H-H2O]+ 194.13336 140.3
[M+HCOO]- 256.13430 172.9
[M+CH3COO]- 270.14995 191.1
[M+Na-2H]- 232.11077 155.1
[M]+ 211.13555 146.9
[M]- 211.13665 146.9
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