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
4
Annotation Hits

0
References

207
Patents

354.31607 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.32335 196.2
[M+Na]+ 377.30529 198.7
[M-H]- 353.30879 200.0
[M+NH4]+ 372.34989 210.7
[M+K]+ 393.27923 187.6
[M+H-H2O]+ 337.31333 190.3
[M+HCOO]- 399.31427 215.5
[M+CH3COO]- 413.32992 219.5
[M+Na-2H]- 375.29074 201.7
[M]+ 354.31552 199.8
[M]- 354.31662 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