CID 274477

92015-51-5

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC1(C2CCC1(C2C(=O)O)C)C

InChI

InChI=1S/C10H16O2/c1-9(2)6-4-5-10(9,3)7(6)8(11)12/h6-7H,4-5H2,1-3H3,(H,11,12)

InChIKey

FYOAMBSBKRDLQN-UHFFFAOYSA-N

Compound name

1,6,6-trimethylbicyclo[2.1.1]hexane-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.11504 Da
Monoisotopic Mass: 2.5
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]+	169.122316	149.0
[M+Na]+	191.104258	156.4
[M-H]-	167.107764	149.7
[M+NH4]+	186.148863	173.6
[M+K]+	207.078198	156.2
[M+H-H2O]+	151.112300	144.4
[M+HCOO]-	213.113241	164.7
[M+CH3COO]-	227.128891	184.3
[M+Na-2H]-	189.089706	154.3
[M]+	168.11449142	161.9
[M]-	168.11558858	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe