CID 13388531

1379602-81-9

Structural Information

Molecular Formula
C7H12O5
SMILES
CC1(OC[C@H](O1)[C@H](C(=O)O)O)C
InChI
InChI=1S/C7H12O5/c1-7(2)11-3-4(12-7)5(8)6(9)10/h4-5,8H,3H2,1-2H3,(H,9,10)/t4-,5+/m0/s1
InChIKey
QJOVXYPGARVTQY-CRCLSJGQSA-N
Compound name
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

176.06847 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07575 134.7
[M+Na]+ 199.05769 141.4
[M-H]- 175.06119 137.0
[M+NH4]+ 194.10229 154.4
[M+K]+ 215.03163 143.5
[M+H-H2O]+ 159.06573 131.5
[M+HCOO]- 221.06667 152.0
[M+CH3COO]- 235.08232 173.2
[M+Na-2H]- 197.04314 139.3
[M]+ 176.06792 135.2
[M]- 176.06902 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe