CID 87637851

Propargyl lactide

Structural Information

Molecular Formula
C8H8O4
SMILES
CC1C(=O)OC(C(=O)O1)CC#C
InChI
InChI=1S/C8H8O4/c1-3-4-6-8(10)11-5(2)7(9)12-6/h1,5-6H,4H2,2H3
InChIKey
RUCSPYCHQRRDIK-UHFFFAOYSA-N
Compound name
3-methyl-6-prop-2-ynyl-1,4-dioxane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

168.04225 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.049526 125.1
[M+Na]+ 191.031468 136.0
[M-H]- 167.034974 128.8
[M+NH4]+ 186.076073 141.5
[M+K]+ 207.005408 135.8
[M+H-H2O]+ 151.039510 114.3
[M+HCOO]- 213.040451 140.1
[M+CH3COO]- 227.056101 186.4
[M+Na-2H]- 189.016916 131.0
[M]+ 168.04170142 121.4
[M]- 168.04279858 121.4
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