CID 168440627

259535-77-8

Structural Information

Molecular Formula
C13H18O6
SMILES
C=CC(=O)OCCOC(=O)[C@H]1CCCC[C@H]1C(=O)O
InChI
InChI=1S/C13H18O6/c1-2-11(14)18-7-8-19-13(17)10-6-4-3-5-9(10)12(15)16/h2,9-10H,1,3-8H2,(H,15,16)/t9-,10+/m1/s1
InChIKey
UECGJSXCVLTIMQ-ZJUUUORDSA-N
Compound name
(1R,2S)-2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.11035 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11763 160.8
[M+Na]+ 293.09957 167.3
[M+NH4]+ 288.14417 164.8
[M+K]+ 309.07351 164.7
[M-H]- 269.10307 158.2
[M+Na-2H]- 291.08502 160.8
[M]+ 270.10980 160.2
[M]- 270.11090 160.2
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.