CID 18626810

Schembl8337619

Structural Information

Molecular Formula

C₁₈H₃₇O₃P

SMILES

CCCCCCCCCCCCCCCCCCOP(=O)=O

InChI

InChI=1S/C18H37O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(19)20/h2-18H2,1H3

InChIKey

IRBCSHGRSNFTCJ-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 332.24805 Da
Monoisotopic Mass: 7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	333.255326	192.8
[M+Na]+	355.237268	194.9
[M-H]-	331.240774	189.6
[M+NH4]+	350.281873	207.3
[M+K]+	371.211208	191.9
[M+H-H2O]+	315.245310	183.4
[M+HCOO]-	377.246251	217.8
[M+CH3COO]-	391.261901	215.2
[M+Na-2H]-	353.222716	188.4
[M]+	332.24750142	202.7
[M]-	332.24859858	202.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe