CID 423584

Schembl4626007

Structural Information

Molecular Formula
C18H40N
SMILES
CCCCCCCCCCCCCCC[N+](C)(C)C
InChI
InChI=1S/C18H40N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,3)4/h5-18H2,1-4H3/q+1
InChIKey
FSWHKYOVBASSCG-UHFFFAOYSA-N
Compound name
trimethyl(pentadecyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

270.31607 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.32335 175.4
[M+Na]+ 293.30529 177.8
[M-H]- 269.30879 175.4
[M+NH4]+ 288.34989 192.7
[M+K]+ 309.27923 170.1
[M+H-H2O]+ 253.31333 171.9
[M+HCOO]- 315.31427 195.8
[M+CH3COO]- 329.32992 205.3
[M+Na-2H]- 291.29074 179.8
[M]+ 270.31552 180.2
[M]- 270.31662 180.2
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