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
(1R,2R)-4-hydroxycyclopentane-1,2-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

174.05283 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06011 134.4
[M+Na]+ 197.04205 140.7
[M-H]- 173.04555 134.0
[M+NH4]+ 192.08665 154.1
[M+K]+ 213.01599 139.6
[M+H-H2O]+ 157.05009 130.3
[M+HCOO]- 219.05103 152.2
[M+CH3COO]- 233.06668 171.3
[M+Na-2H]- 195.02750 134.4
[M]+ 174.05228 131.0
[M]- 174.05338 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