CID 132364883

2-hydroxy-2-(4-hydroxyoxan-4-yl)acetic acid

Structural Information

Molecular Formula
C7H12O5
SMILES
C1COCCC1(C(C(=O)O)O)O
InChI
InChI=1S/C7H12O5/c8-5(6(9)10)7(11)1-3-12-4-2-7/h5,8,11H,1-4H2,(H,9,10)
InChIKey
MYHZLBWJTRTNNN-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(4-hydroxyoxan-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.06847 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.075746 136.3
[M+Na]+ 199.057688 140.7
[M-H]- 175.061194 135.9
[M+NH4]+ 194.102293 154.4
[M+K]+ 215.031628 141.4
[M+H-H2O]+ 159.065730 132.2
[M+HCOO]- 221.066671 150.9
[M+CH3COO]- 235.082321 169.7
[M+Na-2H]- 197.043136 141.0
[M]+ 176.06792142 131.9
[M]- 176.06901858 131.9
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.