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]+ 185.080836 139.3
[M+Na]+ 207.062778 147.3
[M-H]- 183.066284 137.6
[M+NH4]+ 202.107383 156.2
[M+K]+ 223.036718 146.3
[M+H-H2O]+ 167.070820 128.6
[M+HCOO]- 229.071761 154.0
[M+CH3COO]- 243.087411 188.2
[M+Na-2H]- 205.048226 140.4
[M]+ 184.07301142 136.1
[M]- 184.07410858 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