CID 3023036

93942-69-9

Structural Information

Molecular Formula
C23H46NO4
SMILES
CCCCCCCCCCCCOCC(C[N+](C)(C)CCOC(=O)C(=C)C)O
InChI
InChI=1S/C23H46NO4/c1-6-7-8-9-10-11-12-13-14-15-17-27-20-22(25)19-24(4,5)16-18-28-23(26)21(2)3/h22,25H,2,6-20H2,1,3-5H3/q+1
InChIKey
QHEIPGQAGVCSIG-UHFFFAOYSA-N
Compound name
(3-dodecoxy-2-hydroxypropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.34268 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.349956 216.2
[M+Na]+ 423.331898 223.9
[M-H]- 399.335404 211.5
[M+NH4]+ 418.376503 219.7
[M+K]+ 439.305838 219.1
[M+H-H2O]+ 383.339940 203.8
[M+HCOO]- 445.340881 226.6
[M+CH3COO]- 459.356531 223.7
[M+Na-2H]- 421.317346 205.9
[M]+ 400.34213142 215.7
[M]- 400.34322858 215.7
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.