CID 3005808

Nsc678144

Structural Information

Molecular Formula
C23H49NO3P
SMILES
CCCCCCCCCCCCCCCC[C@H]1C[N+](CCOP(=O)(O1)C)(C)C
InChI
InChI=1S/C23H49NO3P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-22-24(2,3)20-21-26-28(4,25)27-23/h23H,5-22H2,1-4H3/q+1/t23-,28?/m0/s1
InChIKey
CKDKKQUAOZZVAI-UHFKCPIBSA-N
Compound name
(4S)-4-hexadecyl-2,6,6-trimethyl-1,3,6,2lambda5-dioxazaphosphocan-6-ium 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.345 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.35228 192.5
[M+Na]+ 441.33422 195.0
[M-H]- 417.33772 192.7
[M+NH4]+ 436.37882 197.6
[M+K]+ 457.30816 192.8
[M+H-H2O]+ 401.34226 188.2
[M+HCOO]- 463.34320 199.9
[M+CH3COO]- 477.35885 239.7
[M+Na-2H]- 439.31967 189.4
[M]+ 418.34445 194.6
[M]- 418.34555 194.6
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.