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]+ 177.07575 136.3
[M+Na]+ 199.05769 140.7
[M-H]- 175.06119 135.9
[M+NH4]+ 194.10229 154.4
[M+K]+ 215.03163 141.4
[M+H-H2O]+ 159.06573 132.2
[M+HCOO]- 221.06667 150.9
[M+CH3COO]- 235.08232 169.7
[M+Na-2H]- 197.04314 141.0
[M]+ 176.06792 131.9
[M]- 176.06902 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.