CID 55299505

Schembl10086732

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]+ 145.08592 130.6
[M+Na]+ 167.06786 136.7
[M-H]- 143.07136 131.2
[M+NH4]+ 162.11246 152.3
[M+K]+ 183.04180 135.4
[M+H-H2O]+ 127.07590 126.1
[M+HCOO]- 189.07684 150.4
[M+CH3COO]- 203.09249 168.0
[M+Na-2H]- 165.05331 132.7
[M]+ 144.07809 127.1
[M]- 144.07919 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