CID 480896

Dodecyl-(isopropoxymethyl)-dimethyl-ammonium

Structural Information

Molecular Formula
C18H40NO
SMILES
CCCCCCCCCCCC[N+](C)(C)COC(C)C
InChI
InChI=1S/C18H40NO/c1-6-7-8-9-10-11-12-13-14-15-16-19(4,5)17-20-18(2)3/h18H,6-17H2,1-5H3/q+1
InChIKey
YUAKLVHZMWIBDB-UHFFFAOYSA-N
Compound name
dodecyl-dimethyl-(propan-2-yloxymethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.311 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.31828 179.1
[M+Na]+ 309.30022 181.3
[M-H]- 285.30372 179.2
[M+NH4]+ 304.34482 195.7
[M+K]+ 325.27416 174.4
[M+H-H2O]+ 269.30826 175.5
[M+HCOO]- 331.30920 198.8
[M+CH3COO]- 345.32485 207.6
[M+Na-2H]- 307.28567 182.4
[M]+ 286.31045 184.7
[M]- 286.31155 184.7
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

No patent data available for this compound.