CID 76669

3204-68-0

Structural Information

Molecular Formula
C15H18N
SMILES
C[N+](C)(CC1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C15H18N/c1-16(2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3/q+1
InChIKey
FFZVILRAPIUNAA-UHFFFAOYSA-N
Compound name
benzyl-dimethyl-phenylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1326
Patents

212.14392 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.151196 147.7
[M+Na]+ 235.133138 153.7
[M-H]- 211.136644 155.7
[M+NH4]+ 230.177743 166.5
[M+K]+ 251.107078 145.2
[M+H-H2O]+ 195.141180 143.2
[M+HCOO]- 257.142121 172.2
[M+CH3COO]- 271.157771 186.6
[M+Na-2H]- 233.118586 158.9
[M]+ 212.14337142 146.2
[M]- 212.14446858 146.2
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