CID 52922159

Pc(13:0/12:0)

Structural Information

Molecular Formula
C33H67NO8P
SMILES
CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C33H66NO8P/c1-6-8-10-12-14-16-18-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34(3,4)5)42-33(36)26-24-22-20-17-15-13-11-9-7-2/h31H,6-30H2,1-5H3/p+1/t31-/m1/s1
InChIKey
JWOWVPDZNGZECL-WJOKGBTCSA-O
Compound name
2-[[(2R)-2-dodecanoyloxy-3-tridecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

636.46045 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 637.46773 259.4
[M+Na]+ 659.44967 262.3
[M-H]- 635.45317 255.8
[M+NH4]+ 654.49427 267.6
[M+K]+ 675.42361 261.7
[M+H-H2O]+ 619.45771 245.4
[M+HCOO]- 681.45865 267.4
[M+CH3COO]- 695.47430 264.7
[M+Na-2H]- 657.43512 241.4
[M]+ 636.45990 257.6
[M]- 636.46100 257.6
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.