CID 18953092

1310210-34-4

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CCCOC1CCCCC1C(=O)O

InChI

InChI=1S/C10H18O3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)

InChIKey

VVPDCBWGYNXPEG-UHFFFAOYSA-N

Compound name

2-propoxycyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 186.1256 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	187.13288	142.5
[M+Na]+	209.11482	146.8
[M-H]-	185.11832	143.8
[M+NH4]+	204.15942	161.4
[M+K]+	225.08876	145.9
[M+H-H2O]+	169.12286	137.0
[M+HCOO]-	231.12380	160.7
[M+CH3COO]-	245.13945	180.0
[M+Na-2H]-	207.10027	144.8
[M]+	186.12505	140.0
[M]-	186.12615	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe