CID 176472641

4-ethylidenecyclopentane-1,3-dicarboxylic acid

Structural Information

Molecular Formula
C9H12O4
SMILES
CC=C1CC(CC1C(=O)O)C(=O)O
InChI
InChI=1S/C9H12O4/c1-2-5-3-6(8(10)11)4-7(5)9(12)13/h2,6-7H,3-4H2,1H3,(H,10,11)(H,12,13)
InChIKey
WQEOFLKJJCNBFN-UHFFFAOYSA-N
Compound name
4-ethylidenecyclopentane-1,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07356 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.080836 139.2
[M+Na]+ 207.062778 145.7
[M-H]- 183.066284 140.0
[M+NH4]+ 202.107383 159.4
[M+K]+ 223.036718 143.8
[M+H-H2O]+ 167.070820 134.9
[M+HCOO]- 229.071761 157.9
[M+CH3COO]- 243.087411 176.0
[M+Na-2H]- 205.048226 138.6
[M]+ 184.07301142 136.2
[M]- 184.07410858 136.2
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.