CID 129994224

113492-50-5

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

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

InChI

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

InChIKey

CABJEJMGHHBBPW-UHFFFAOYSA-N

Compound name

2,3,3-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.13068 Da
Monoisotopic Mass: 3.0
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]+	183.137956	142.5
[M+Na]+	205.119898	151.0
[M-H]-	181.123404	144.6
[M+NH4]+	200.164503	171.2
[M+K]+	221.093838	148.4
[M+H-H2O]+	165.127940	140.5
[M+HCOO]-	227.128881	161.1
[M+CH3COO]-	241.144531	180.5
[M+Na-2H]-	203.105346	145.6
[M]+	182.13013142	142.1
[M]-	182.13122858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe