CID 45674

63951-34-8

Structural Information

Molecular Formula
C20H46N2
SMILES
C[N+](C)(C)CCCCCCCCCCCCCC[N+](C)(C)C
InChI
InChI=1S/C20H46N2/c1-21(2,3)19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(4,5)6/h7-20H2,1-6H3/q+2
InChIKey
YLHAJLBDDIMJHL-UHFFFAOYSA-N
Compound name
trimethyl-[14-(trimethylazaniumyl)tetradecyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

314.3661 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.37338 183.3
[M+Na]+ 337.35532 184.9
[M-H]- 313.35882 184.8
[M+NH4]+ 332.39992 231.2
[M+K]+ 353.32926 172.6
[M+H-H2O]+ 297.36336 182.4
[M+HCOO]- 359.36430 253.4
[M+CH3COO]- 373.37995 213.3
[M+Na-2H]- 335.34077 191.0
[M]+ 314.36555 187.6
[M]- 314.36665 187.6
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