CID 441088

Cis-2,3-dihydroxy-2,3-dihydro-p-cumate

Structural Information

Molecular Formula
C10H14O4
SMILES
CC(C)C1=CC=C([C@H]([C@H]1O)O)C(=O)O
InChI
InChI=1S/C10H14O4/c1-5(2)6-3-4-7(10(13)14)9(12)8(6)11/h3-5,8-9,11-12H,1-2H3,(H,13,14)/t8-,9+/m0/s1
InChIKey
BUZNWVREDOAOGD-DTWKUNHWSA-N
Compound name
(5S,6R)-5,6-dihydroxy-4-propan-2-ylcyclohexa-1,3-diene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

198.0892 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09648 142.4
[M+Na]+ 221.07842 152.2
[M+NH4]+ 216.12302 148.5
[M+K]+ 237.05236 149.3
[M-H]- 197.08192 141.5
[M+Na-2H]- 219.06387 144.9
[M]+ 198.08865 143.2
[M]- 198.08975 143.2
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

patents stripe