CID 54035433

2-(2-cyclohexen-1-yl)-2-methylmalonic acid

Structural Information

Molecular Formula
C10H14O4
SMILES
CC(C1CCCC=C1)(C(=O)O)C(=O)O
InChI
InChI=1S/C10H14O4/c1-10(8(11)12,9(13)14)7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3,(H,11,12)(H,13,14)
InChIKey
LIPNOMMJAXAPMC-UHFFFAOYSA-N
Compound name
2-cyclohex-2-en-1-yl-2-methylpropanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

198.0892 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.096476 142.3
[M+Na]+ 221.078418 146.7
[M-H]- 197.081924 142.5
[M+NH4]+ 216.123023 159.6
[M+K]+ 237.052358 145.5
[M+H-H2O]+ 181.086460 137.5
[M+HCOO]- 243.087401 158.4
[M+CH3COO]- 257.103051 178.4
[M+Na-2H]- 219.063866 145.5
[M]+ 198.08865142 138.6
[M]- 198.08974858 138.6
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