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]+ 342.32408 191.4
[M+Na]+ 364.30602 191.5
[M-H]- 340.30952 189.8
[M+NH4]+ 359.35062 214.3
[M+K]+ 380.27996 183.5
[M+H-H2O]+ 324.31406 187.4
[M+HCOO]- 386.31500 222.5
[M+CH3COO]- 400.33065 216.0
[M+Na-2H]- 362.29147 191.4
[M]+ 341.31625 193.5
[M]- 341.31735 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.