CID 20320777

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

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

CC1(CC2(C1)CCC2)C(=O)O

InChI

InChI=1S/C9H14O2/c1-8(7(10)11)5-9(6-8)3-2-4-9/h2-6H2,1H3,(H,10,11)

InChIKey

VTWGNAZOWBHJJX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 154.09938 Da
Monoisotopic Mass: 2.1
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	140.6
[M+Na]+	177.08860	141.1
[M+NH4]+	172.13320	143.3
[M+K]+	193.06254	137.2
[M-H]-	153.09210	136.5
[M+Na-2H]-	175.07405	142.0
[M]+	154.09883	137.5
[M]-	154.09993	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe