CID 155820601

3-[(dimethylphosphoryl)methoxy]prop-1-yne

Structural Information

Molecular Formula
C6H11O2P
SMILES
CP(=O)(C)COCC#C
InChI
InChI=1S/C6H11O2P/c1-4-5-8-6-9(2,3)7/h1H,5-6H2,2-3H3
InChIKey
DZROTOAMUBVERW-UHFFFAOYSA-N
Compound name
3-(dimethylphosphorylmethoxy)prop-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.04967 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.056946 126.5
[M+Na]+ 169.038888 136.4
[M-H]- 145.042394 125.6
[M+NH4]+ 164.083493 146.5
[M+K]+ 185.012828 135.6
[M+H-H2O]+ 129.046930 114.8
[M+HCOO]- 191.047871 148.8
[M+CH3COO]- 205.063521 184.6
[M+Na-2H]- 167.024336 130.7
[M]+ 146.04912142 125.3
[M]- 146.05021858 125.3
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.