CID 519427

3193-62-2

Structural Information

Molecular Formula
C15H17N
SMILES
CC(C1=CC=CC=C1)NCC2=CC=CC=C2
InChI
InChI=1S/C15H17N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3
InChIKey
ZYZHMSJNPCYUTB-UHFFFAOYSA-N
Compound name
N-benzyl-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

3574
Patents

211.1361 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.14338 148.4
[M+Na]+ 234.12532 153.5
[M-H]- 210.12882 154.5
[M+NH4]+ 229.16992 166.4
[M+K]+ 250.09926 149.7
[M+H-H2O]+ 194.13336 140.8
[M+HCOO]- 256.13430 172.5
[M+CH3COO]- 270.14995 190.8
[M+Na-2H]- 232.11077 155.2
[M]+ 211.13555 146.5
[M]- 211.13665 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