CID 125424526

2307772-06-9

Structural Information

Molecular Formula
C9H14O5
SMILES
COC(=O)CC[C@@H]1CC[C@@H](O1)C(=O)O
InChI
InChI=1S/C9H14O5/c1-13-8(10)5-3-6-2-4-7(14-6)9(11)12/h6-7H,2-5H2,1H3,(H,11,12)/t6-,7+/m0/s1
InChIKey
MRZOBYXLLOJEQD-NKWVEPMBSA-N
Compound name
(2R,5S)-5-(3-methoxy-3-oxopropyl)oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.08412 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.09140 143.9
[M+Na]+ 225.07334 151.2
[M+NH4]+ 220.11794 149.5
[M+K]+ 241.04728 150.7
[M-H]- 201.07684 143.2
[M+Na-2H]- 223.05879 144.3
[M]+ 202.08357 144.2
[M]- 202.08467 144.2
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.