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

23
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 120.2
[M+Na]+ 139.02832 130.6
[M-H]- 115.03182 119.6
[M+NH4]+ 134.07292 141.3
[M+K]+ 155.00226 129.5
[M+H-H2O]+ 99.036360 108.9
[M+HCOO]- 161.03730 142.6
[M+CH3COO]- 175.05295 180.1
[M+Na-2H]- 137.01377 124.8
[M]+ 116.03855 117.4
[M]- 116.03965 117.4
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