CID 11020285

(1r,2s,4s)-cyclohexane-1,2,4-tricarboxylic acid

Structural Information

Molecular Formula
C9H12O6
SMILES
C1C[C@H]([C@H](C[C@H]1C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C9H12O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h4-6H,1-3H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+,6-/m0/s1
InChIKey
WTNDADANUZETTI-JKUQZMGJSA-N
Compound name
(1R,2S,4S)-cyclohexane-1,2,4-tricarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7691
Patents

216.06339 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07067 144.7
[M+Na]+ 239.05261 151.1
[M+NH4]+ 234.09721 148.9
[M+K]+ 255.02655 150.5
[M-H]- 215.05611 141.4
[M+Na-2H]- 237.03806 144.3
[M]+ 216.06284 143.9
[M]- 216.06394 143.9
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