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]+ 203.091396 143.3
[M+Na]+ 225.073338 148.9
[M-H]- 201.076844 145.7
[M+NH4]+ 220.117943 161.9
[M+K]+ 241.047278 149.8
[M+H-H2O]+ 185.081380 138.2
[M+HCOO]- 247.082321 162.6
[M+CH3COO]- 261.097971 180.3
[M+Na-2H]- 223.058786 144.8
[M]+ 202.08357142 144.5
[M]- 202.08466858 144.5
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.