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

30
Patents

142.06299 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 127.5
[M+Na]+ 165.05221 133.7
[M-H]- 141.05571 128.3
[M+NH4]+ 160.09681 147.5
[M+K]+ 181.02615 132.4
[M+H-H2O]+ 125.06025 122.8
[M+HCOO]- 187.06119 146.7
[M+CH3COO]- 201.07684 167.9
[M+Na-2H]- 163.03766 131.9
[M]+ 142.06244 123.4
[M]- 142.06354 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