CID 205534

18167-05-0

Structural Information

Molecular Formula
C18H37N2O2
SMILES
CCCCCCCCCCC(C[N+](C)(C)NC(=O)C(=C)C)O
InChI
InChI=1S/C18H36N2O2/c1-6-7-8-9-10-11-12-13-14-17(21)15-20(4,5)19-18(22)16(2)3/h17,21H,2,6-15H2,1,3-5H3/p+1
InChIKey
JUDSVBYPNYAZJX-UHFFFAOYSA-O
Compound name
2-hydroxydodecyl-dimethyl-(2-methylprop-2-enoylamino)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.2855 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.29278 182.2
[M+Na]+ 336.27472 183.1
[M-H]- 312.27822 181.0
[M+NH4]+ 331.31932 196.3
[M+K]+ 352.24866 175.7
[M+H-H2O]+ 296.28276 178.6
[M+HCOO]- 358.28370 200.1
[M+CH3COO]- 372.29935 210.0
[M+Na-2H]- 334.26017 183.2
[M]+ 313.28495 183.5
[M]- 313.28605 183.5
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.