CID 87155793

3-(dimethylphosphoryl)prop-1-yne

Structural Information

Molecular Formula
C5H9OP
SMILES
CP(=O)(C)CC#C
InChI
InChI=1S/C5H9OP/c1-4-5-7(2,3)6/h1H,5H2,2-3H3
InChIKey
BLRSYPNWQUYTPR-UHFFFAOYSA-N
Compound name
3-dimethylphosphorylprop-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

116.0391 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.04638 123.2
[M+Na]+ 139.02832 133.5
[M+NH4]+ 134.07292 127.6
[M+K]+ 155.00226 125.8
[M-H]- 115.03182 114.4
[M+Na-2H]- 137.01377 124.6
[M]+ 116.03855 121.2
[M]- 116.03965 121.2
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

patents stripe