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

25
Patents

116.0391 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.046376 120.2
[M+Na]+ 139.028318 130.6
[M-H]- 115.031824 119.6
[M+NH4]+ 134.072923 141.3
[M+K]+ 155.002258 129.5
[M+H-H2O]+ 99.036360 108.9
[M+HCOO]- 161.037301 142.6
[M+CH3COO]- 175.052951 180.1
[M+Na-2H]- 137.013766 124.8
[M]+ 116.03855142 117.4
[M]- 116.03964858 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