CID 139125

10309-20-3

Structural Information

Molecular Formula

C₁₁H₁₆O₂

SMILES

CC1(C2CCC(C2)(C1=C)C(=O)O)C

InChI

InChI=1S/C11H16O2/c1-7-10(2,3)8-4-5-11(7,6-8)9(12)13/h8H,1,4-6H2,2-3H3,(H,12,13)

InChIKey

JBNCRMFOHKBEFO-UHFFFAOYSA-N

Compound name

3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 3
Patents: 180.11504 Da
Monoisotopic Mass: 2.2
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]+	181.12232	141.3
[M+Na]+	203.10426	150.1
[M-H]-	179.10776	143.4
[M+NH4]+	198.14886	169.9
[M+K]+	219.07820	146.9
[M+H-H2O]+	163.11230	139.4
[M+HCOO]-	225.11324	160.1
[M+CH3COO]-	239.12889	179.7
[M+Na-2H]-	201.08971	144.4
[M]+	180.11449	140.2
[M]-	180.11559	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe