CID 57737501

Rel-(1r,2r)-4-hydroxy-1,2-cyclopentanedicarboxylic acid

Structural Information

Molecular Formula
C7H10O5
SMILES
C1[C@H]([C@@H](CC1O)C(=O)O)C(=O)O
InChI
InChI=1S/C7H10O5/c8-3-1-4(6(9)10)5(2-3)7(11)12/h3-5,8H,1-2H2,(H,9,10)(H,11,12)/t4-,5-/m1/s1
InChIKey
RJLBLEIPNSPREJ-RFZPGFLSSA-N
Compound name
trans-(1R,2R)-4-hydroxycyclopentane-1,2-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

174.05283 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.060106 134.4
[M+Na]+ 197.042048 140.7
[M-H]- 173.045554 134.0
[M+NH4]+ 192.086653 154.1
[M+K]+ 213.015988 139.6
[M+H-H2O]+ 157.050090 130.3
[M+HCOO]- 219.051031 152.2
[M+CH3COO]- 233.066681 171.3
[M+Na-2H]- 195.027496 134.4
[M]+ 174.05228142 131.0
[M]- 174.05337858 131.0
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