CID 61272

1733-96-6

Structural Information

Molecular Formula
C25H40N
SMILES
CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C25H40N/c1-4-5-6-7-8-9-10-11-12-15-21-26(2,3)22-24-19-16-18-23-17-13-14-20-25(23)24/h13-14,16-20H,4-12,15,21-22H2,1-3H3/q+1
InChIKey
FSIALNWCGBLSCY-UHFFFAOYSA-N
Compound name
dodecyl-dimethyl-(naphthalen-1-ylmethyl)azanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

232
Patents

354.31607 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.323346 196.2
[M+Na]+ 377.305288 198.7
[M-H]- 353.308794 200.0
[M+NH4]+ 372.349893 210.7
[M+K]+ 393.279228 187.6
[M+H-H2O]+ 337.313330 190.3
[M+HCOO]- 399.314271 215.5
[M+CH3COO]- 413.329921 219.5
[M+Na-2H]- 375.290736 201.7
[M]+ 354.31552142 199.8
[M]- 354.31661858 199.8
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

patents stripe