CID 42582

57830-06-5

Structural Information

Molecular Formula
C20H41N2O2
SMILES
CCCCCCCCCCCCC(C[N+](C)(C)NC(=O)C(=C)C)O
InChI
InChI=1S/C20H40N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-19(23)17-22(4,5)21-20(24)18(2)3/h19,23H,2,6-17H2,1,3-5H3/p+1
InChIKey
HQJIDJCCPDGJCZ-UHFFFAOYSA-O
Compound name
2-hydroxytetradecyl-dimethyl-(2-methylprop-2-enoylamino)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.3168 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.324076 191.4
[M+Na]+ 364.306018 191.5
[M-H]- 340.309524 189.8
[M+NH4]+ 359.350623 214.3
[M+K]+ 380.279958 183.5
[M+H-H2O]+ 324.314060 187.4
[M+HCOO]- 386.315001 222.5
[M+CH3COO]- 400.330651 216.0
[M+Na-2H]- 362.291466 191.4
[M]+ 341.31625142 193.5
[M]- 341.31734858 193.5
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.