CID 739183

40724-67-2

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

CC1([C@@H]2CC[C@]1(C(=O)C2)C(=O)O)C

InChI

InChI=1S/C10H14O3/c1-9(2)6-3-4-10(9,8(12)13)7(11)5-6/h6H,3-5H2,1-2H3,(H,12,13)/t6-,10+/m1/s1

InChIKey

WDODWBQJVMBHCO-LDWIPMOCSA-N

Compound name

(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 182.0943 Da
Monoisotopic Mass: 2.0
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]+	183.10158	140.1
[M+Na]+	205.08352	147.5
[M+NH4]+	200.12812	150.8
[M+K]+	221.05746	143.3
[M-H]-	181.08702	138.6
[M+Na-2H]-	203.06897	142.7
[M]+	182.09375	140.6
[M]-	182.09485	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe