CID 55300346

(1r,5r)-5-hydroxycyclohex-3-ene-1-carboxylic acid

Structural Information

Molecular Formula
C7H10O3
SMILES
C1C=C[C@@H](C[C@@H]1C(=O)O)O
InChI
InChI=1S/C7H10O3/c8-6-3-1-2-5(4-6)7(9)10/h1,3,5-6,8H,2,4H2,(H,9,10)/t5-,6+/m1/s1
InChIKey
CNPPQIVHKLYCGG-RITPCOANSA-N
Compound name
(1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

142.06299 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.070266 127.5
[M+Na]+ 165.052208 133.7
[M-H]- 141.055714 128.3
[M+NH4]+ 160.096813 147.5
[M+K]+ 181.026148 132.4
[M+H-H2O]+ 125.060250 122.8
[M+HCOO]- 187.061191 146.7
[M+CH3COO]- 201.076841 167.9
[M+Na-2H]- 163.037656 131.9
[M]+ 142.06244142 123.4
[M]- 142.06353858 123.4
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