CID 61238686

1250909-01-3

Structural Information

Molecular Formula
C10H18O3
SMILES
CCCC1CCC(CC1)(C(=O)O)O
InChI
InChI=1S/C10H18O3/c1-2-3-8-4-6-10(13,7-5-8)9(11)12/h8,13H,2-7H2,1H3,(H,11,12)
InChIKey
YKUUZMRNAVQEGQ-UHFFFAOYSA-N
Compound name
1-hydroxy-4-propylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.1256 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13288 142.9
[M+Na]+ 209.11482 147.7
[M-H]- 185.11832 143.1
[M+NH4]+ 204.15942 163.1
[M+K]+ 225.08876 146.1
[M+H-H2O]+ 169.12286 138.7
[M+HCOO]- 231.12380 159.5
[M+CH3COO]- 245.13945 177.0
[M+Na-2H]- 207.10027 145.9
[M]+ 186.12505 138.8
[M]- 186.12615 138.8
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.