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

30
Patents

186.1256 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13288 143.6
[M+Na]+ 209.11482 146.8
[M-H]- 185.11832 144.6
[M+NH4]+ 204.15942 162.2
[M+K]+ 225.08876 146.3
[M+H-H2O]+ 169.12286 138.0
[M+HCOO]- 231.12380 160.8
[M+CH3COO]- 245.13945 179.1
[M+Na-2H]- 207.10027 145.3
[M]+ 186.12505 140.0
[M]- 186.12615 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