CID 535109

64284-84-0

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

CC1C(CC2CC1C2(C)C)C(=O)O

InChI

InChI=1S/C11H18O2/c1-6-8(10(12)13)4-7-5-9(6)11(7,2)3/h6-9H,4-5H2,1-3H3,(H,12,13)

InChIKey

YCJJWXPLEWSYFQ-UHFFFAOYSA-N

Compound name

2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 78
Patents: 182.13068 Da
Monoisotopic Mass: 2.7
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	153.6
[M+Na]+	205.119898	159.1
[M-H]-	181.123404	151.9
[M+NH4]+	200.164503	173.0
[M+K]+	221.093838	160.0
[M+H-H2O]+	165.127940	146.2
[M+HCOO]-	227.128881	164.3
[M+CH3COO]-	241.144531	190.3
[M+Na-2H]-	203.105346	160.0
[M]+	182.13013142	164.5
[M]-	182.13122858	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe