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]+ 147.05695 126.5
[M+Na]+ 169.03889 136.4
[M-H]- 145.04239 125.6
[M+NH4]+ 164.08349 146.5
[M+K]+ 185.01283 135.6
[M+H-H2O]+ 129.04693 114.8
[M+HCOO]- 191.04787 148.8
[M+CH3COO]- 205.06352 184.6
[M+Na-2H]- 167.02434 130.7
[M]+ 146.04912 125.3
[M]- 146.05022 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.