CID 124116533

6-methylspiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

CC1CC2(C1)CC(C2)C(=O)O

InChI

InChI=1S/C9H14O2/c1-6-2-9(3-6)4-7(5-9)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)

InChIKey

BFDRDDIHNVXWPZ-UHFFFAOYSA-N

Compound name

6-methylspiro[3.3]heptane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 154.09938 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]+	155.10666	139.9
[M+Na]+	177.08860	140.7
[M+NH4]+	172.13320	141.4
[M+K]+	193.06254	138.3
[M-H]-	153.09210	135.9
[M+Na-2H]-	175.07405	139.9
[M]+	154.09883	136.6
[M]-	154.09993	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe