CID 24846228

Succinic acid, 1-methyl-2-propynyl ester

Structural Information

Molecular Formula
C8H10O4
SMILES
CC(C#C)OC(=O)CCC(=O)O
InChI
InChI=1S/C8H10O4/c1-3-6(2)12-8(11)5-4-7(9)10/h1,6H,4-5H2,2H3,(H,9,10)
InChIKey
MPFKIKJXEMXMNX-UHFFFAOYSA-N
Compound name
4-but-3-yn-2-yloxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

170.0579 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06518 135.3
[M+Na]+ 193.04712 143.6
[M-H]- 169.05062 133.8
[M+NH4]+ 188.09172 152.7
[M+K]+ 209.02106 142.9
[M+H-H2O]+ 153.05516 124.7
[M+HCOO]- 215.05610 150.2
[M+CH3COO]- 229.07175 185.5
[M+Na-2H]- 191.03257 136.8
[M]+ 170.05735 131.7
[M]- 170.05845 131.7
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