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]+ 187.132876 142.9
[M+Na]+ 209.114818 147.7
[M-H]- 185.118324 143.1
[M+NH4]+ 204.159423 163.1
[M+K]+ 225.088758 146.1
[M+H-H2O]+ 169.122860 138.7
[M+HCOO]- 231.123801 159.5
[M+CH3COO]- 245.139451 177.0
[M+Na-2H]- 207.100266 145.9
[M]+ 186.12505142 138.8
[M]- 186.12614858 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.