CID 165836594

2-hydroxy-2-(1-hydroxycyclopentyl)acetic acid

Structural Information

Molecular Formula
C7H12O4
SMILES
C1CCC(C1)(C(C(=O)O)O)O
InChI
InChI=1S/C7H12O4/c8-5(6(9)10)7(11)3-1-2-4-7/h5,8,11H,1-4H2,(H,9,10)
InChIKey
DYJZCHOVBVYKQO-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(1-hydroxycyclopentyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.07356 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08084 134.9
[M+Na]+ 183.06278 140.2
[M-H]- 159.06628 134.1
[M+NH4]+ 178.10738 156.7
[M+K]+ 199.03672 139.1
[M+H-H2O]+ 143.07082 131.3
[M+HCOO]- 205.07176 152.3
[M+CH3COO]- 219.08741 167.0
[M+Na-2H]- 181.04823 137.2
[M]+ 160.07301 130.3
[M]- 160.07411 130.3
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

No patent data available for this compound.