CID 22172811

Lithium(1+)2-(2,3-dihydroxycyclopentyl)acetate,mixtureofdiastereomers

Structural Information

Molecular Formula
C7H12O4
SMILES
C1CC(C(C1CC(=O)O)O)O
InChI
InChI=1S/C7H12O4/c8-5-2-1-4(7(5)11)3-6(9)10/h4-5,7-8,11H,1-3H2,(H,9,10)
InChIKey
LHOOASPXYCEHQP-UHFFFAOYSA-N
Compound name
2-(2,3-dihydroxycyclopentyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

160.07356 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08084 133.2
[M+Na]+ 183.06278 139.6
[M-H]- 159.06628 132.7
[M+NH4]+ 178.10738 153.7
[M+K]+ 199.03672 138.0
[M+H-H2O]+ 143.07082 129.0
[M+HCOO]- 205.07176 151.6
[M+CH3COO]- 219.08741 168.9
[M+Na-2H]- 181.04823 134.2
[M]+ 160.07301 129.6
[M]- 160.07411 129.6
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