CID 14779193

39850-65-2

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

CC1(C2CCC(C2)C1CC(=O)O)C

InChI

InChI=1S/C11H18O2/c1-11(2)8-4-3-7(5-8)9(11)6-10(12)13/h7-9H,3-6H2,1-2H3,(H,12,13)

InChIKey

QJZWXXJNTXTQNZ-UHFFFAOYSA-N

Compound name

2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
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	144.1
[M+Na]+	205.119898	151.5
[M-H]-	181.123404	145.7
[M+NH4]+	200.164503	170.7
[M+K]+	221.093838	149.0
[M+H-H2O]+	165.127940	141.2
[M+HCOO]-	227.128881	162.7
[M+CH3COO]-	241.144531	180.8
[M+Na-2H]-	203.105346	145.8
[M]+	182.13013142	143.2
[M]-	182.13122858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe