CID 390927

Nsc689148

Structural Information

Molecular Formula
C12H10O4
SMILES
CC(=O)OC1=CC=C(C=C1)C(=O)OCC#C
InChI
InChI=1S/C12H10O4/c1-3-8-15-12(14)10-4-6-11(7-5-10)16-9(2)13/h1,4-7H,8H2,2H3
InChIKey
CYUDZBMZQLGPOB-UHFFFAOYSA-N
Compound name
prop-2-ynyl 4-acetyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0579 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06518 147.3
[M+Na]+ 241.04712 157.1
[M-H]- 217.05062 149.5
[M+NH4]+ 236.09172 163.6
[M+K]+ 257.02106 154.2
[M+H-H2O]+ 201.05516 135.2
[M+HCOO]- 263.05610 164.5
[M+CH3COO]- 277.07175 194.1
[M+Na-2H]- 239.03257 149.9
[M]+ 218.05735 145.1
[M]- 218.05845 145.1
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.