CID 24846221

Succinic acid, 1-ethyl-2-propynyl ester, sodium salt

Structural Information

Molecular Formula
C9H12O4
SMILES
CCC(C#C)OC(=O)CCC(=O)O
InChI
InChI=1S/C9H12O4/c1-3-7(4-2)13-9(12)6-5-8(10)11/h1,7H,4-6H2,2H3,(H,10,11)
InChIKey
WPJIYKHULCBNCP-UHFFFAOYSA-N
Compound name
4-oxo-4-pent-1-yn-3-yloxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

184.07356 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 139.3
[M+Na]+ 207.06278 147.3
[M-H]- 183.06628 137.6
[M+NH4]+ 202.10738 156.2
[M+K]+ 223.03672 146.3
[M+H-H2O]+ 167.07082 128.6
[M+HCOO]- 229.07176 154.0
[M+CH3COO]- 243.08741 188.2
[M+Na-2H]- 205.04823 140.4
[M]+ 184.07301 136.1
[M]- 184.07411 136.1
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

patents stripe