CID 371541

Diethyl 1-hexynyl phosphate

Structural Information

Molecular Formula
C10H19O4P
SMILES
CCCCC#COP(=O)(OCC)OCC
InChI
InChI=1S/C10H19O4P/c1-4-7-8-9-10-14-15(11,12-5-2)13-6-3/h4-8H2,1-3H3
InChIKey
SRHMQOZWLWWSEC-UHFFFAOYSA-N
Compound name
diethyl hex-1-ynyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

234.1021 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10938 147.1
[M+Na]+ 257.09132 155.5
[M-H]- 233.09482 145.6
[M+NH4]+ 252.13592 164.1
[M+K]+ 273.06526 154.9
[M+H-H2O]+ 217.09936 134.4
[M+HCOO]- 279.10030 168.8
[M+CH3COO]- 293.11595 197.8
[M+Na-2H]- 255.07677 149.9
[M]+ 234.10155 149.7
[M]- 234.10265 149.7
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.