CID 84111966

3-cyclohexyl-2-methoxypropanoicacid

Structural Information

Molecular Formula
C10H18O3
SMILES
COC(CC1CCCCC1)C(=O)O
InChI
InChI=1S/C10H18O3/c1-13-9(10(11)12)7-8-5-3-2-4-6-8/h8-9H,2-7H2,1H3,(H,11,12)
InChIKey
AAXJRFKHUCGRQN-UHFFFAOYSA-N
Compound name
3-cyclohexyl-2-methoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.1256 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13288 143.0
[M+Na]+ 209.11482 151.4
[M+NH4]+ 204.15942 150.3
[M+K]+ 225.08876 147.0
[M-H]- 185.11832 143.0
[M+Na-2H]- 207.10027 145.9
[M]+ 186.12505 143.8
[M]- 186.12615 143.8
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.