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]+ 161.080836 132.6
[M+Na]+ 183.062778 138.1
[M-H]- 159.066284 133.8
[M+NH4]+ 178.107383 152.2
[M+K]+ 199.036718 138.7
[M+H-H2O]+ 143.070820 128.6
[M+HCOO]- 205.071761 150.2
[M+CH3COO]- 219.087411 169.3
[M+Na-2H]- 181.048226 137.5
[M]+ 160.07301142 130.4
[M]- 160.07410858 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.