CID 13925900

Methyl 3-cyclohexyl-2-hydroxypropanoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

186.1256 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.132876 143.6
[M+Na]+ 209.114818 146.8
[M-H]- 185.118324 144.6
[M+NH4]+ 204.159423 162.2
[M+K]+ 225.088758 146.3
[M+H-H2O]+ 169.122860 138.0
[M+HCOO]- 231.123801 160.8
[M+CH3COO]- 245.139451 179.1
[M+Na-2H]- 207.100266 145.3
[M]+ 186.12505142 140.0
[M]- 186.12614858 140.0
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

patents stripe