CID 13370226

95685-38-4

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

CCC1(CC2CCC(C2)C1)C(=O)O

InChI

InChI=1S/C11H18O2/c1-2-11(10(12)13)6-8-3-4-9(5-8)7-11/h8-9H,2-7H2,1H3,(H,12,13)

InChIKey

ITPRTGNCXNGJRW-UHFFFAOYSA-N

Compound name

3-ethylbicyclo[3.2.1]octane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 182.13068 Da
Monoisotopic Mass: 2.9
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]+	183.137956	143.2
[M+Na]+	205.119898	148.8
[M-H]-	181.123404	144.1
[M+NH4]+	200.164503	167.8
[M+K]+	221.093838	146.4
[M+H-H2O]+	165.127940	139.3
[M+HCOO]-	227.128881	159.7
[M+CH3COO]-	241.144531	179.5
[M+Na-2H]-	203.105346	146.8
[M]+	182.13013142	139.8
[M]-	182.13122858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe