CID 121770

30251-10-6

Structural Information

Molecular Formula
C25H46N
SMILES
CCCCCCCCCCCCCCC(C)[N+](C)(C)CC1=CC=CC=C1
InChI
InChI=1S/C25H46N/c1-5-6-7-8-9-10-11-12-13-14-15-17-20-24(2)26(3,4)23-25-21-18-16-19-22-25/h16,18-19,21-22,24H,5-15,17,20,23H2,1-4H3/q+1
InChIKey
DPPIJAGRZCYDRD-UHFFFAOYSA-N
Compound name
benzyl-hexadecan-2-yl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

360.36304 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.37032 201.1
[M+Na]+ 383.35226 201.4
[M-H]- 359.35576 203.5
[M+NH4]+ 378.39686 214.2
[M+K]+ 399.32620 191.4
[M+H-H2O]+ 343.36030 195.3
[M+HCOO]- 405.36124 219.7
[M+CH3COO]- 419.37689 221.8
[M+Na-2H]- 381.33771 203.0
[M]+ 360.36249 205.2
[M]- 360.36359 205.2
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