CID 55299505

Rac-2-[(1r,3s)-3-hydroxycyclopentyl]acetic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
C1C[C@H](C[C@H]1CC(=O)O)O
InChI
InChI=1S/C7H12O3/c8-6-2-1-5(3-6)4-7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6+/m0/s1
InChIKey
IKGUMJUGKJCELW-NTSWFWBYSA-N
Compound name
2-[(1S,3R)-3-hydroxycyclopentyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

144.07864 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 130.6
[M+Na]+ 167.067858 136.7
[M-H]- 143.071364 131.2
[M+NH4]+ 162.112463 152.3
[M+K]+ 183.041798 135.4
[M+H-H2O]+ 127.075900 126.1
[M+HCOO]- 189.076841 150.4
[M+CH3COO]- 203.092491 168.0
[M+Na-2H]- 165.053306 132.7
[M]+ 144.07809142 127.1
[M]- 144.07918858 127.1
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