CID 79303669

2-hydroxy-2-(oxolan-3-yl)propanoic acid

Structural Information

Molecular Formula
C7H12O4
SMILES
CC(C1CCOC1)(C(=O)O)O
InChI
InChI=1S/C7H12O4/c1-7(10,6(8)9)5-2-3-11-4-5/h5,10H,2-4H2,1H3,(H,8,9)
InChIKey
GZKKBIVLRCOXRB-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(oxolan-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.07356 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08084 132.6
[M+Na]+ 183.06278 138.1
[M-H]- 159.06628 133.8
[M+NH4]+ 178.10738 152.2
[M+K]+ 199.03672 138.7
[M+H-H2O]+ 143.07082 128.6
[M+HCOO]- 205.07176 150.2
[M+CH3COO]- 219.08741 169.3
[M+Na-2H]- 181.04823 137.5
[M]+ 160.07301 130.4
[M]- 160.07411 130.4
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.