CID 13370224

95685-37-3

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC1(CC2CCC(C2)C1)C(=O)O

InChI

InChI=1S/C10H16O2/c1-10(9(11)12)5-7-2-3-8(4-7)6-10/h7-8H,2-6H2,1H3,(H,11,12)

InChIKey

SNLWVLXVFOHYAU-UHFFFAOYSA-N

Compound name

3-methylbicyclo[3.2.1]octane-3-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	138.6
[M+Na]+	191.104258	144.6
[M-H]-	167.107764	139.7
[M+NH4]+	186.148863	163.7
[M+K]+	207.078198	142.5
[M+H-H2O]+	151.112300	134.9
[M+HCOO]-	213.113241	155.4
[M+CH3COO]-	227.128891	176.5
[M+Na-2H]-	189.089706	142.7
[M]+	168.11449142	134.8
[M]-	168.11558858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe