CID 53855767

Schembl3958502

Structural Information

Molecular Formula

C₁₄H₂₉O₄P

SMILES

CCCCCCCCCCCCC=COP(=O)(O)O

InChI

InChI=1S/C14H29O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h13-14H,2-12H2,1H3,(H2,15,16,17)

InChIKey

GSZOKLSCMQVVPB-UHFFFAOYSA-N

Compound name

tetradec-1-enyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 292.18036 Da
Monoisotopic Mass: 5.3
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]+	293.187636	178.9
[M+Na]+	315.169578	182.4
[M-H]-	291.173084	173.8
[M+NH4]+	310.214183	193.8
[M+K]+	331.143518	179.1
[M+H-H2O]+	275.177620	171.0
[M+HCOO]-	337.178561	201.9
[M+CH3COO]-	351.194211	198.9
[M+Na-2H]-	313.155026	178.0
[M]+	292.17981142	184.9
[M]-	292.18090858	184.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe