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]+ 171.065176 135.3
[M+Na]+ 193.047118 143.6
[M-H]- 169.050624 133.8
[M+NH4]+ 188.091723 152.7
[M+K]+ 209.021058 142.9
[M+H-H2O]+ 153.055160 124.7
[M+HCOO]- 215.056101 150.2
[M+CH3COO]- 229.071751 185.5
[M+Na-2H]- 191.032566 136.8
[M]+ 170.05735142 131.7
[M]- 170.05844858 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