CID 84649980

1784988-07-3

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C1CC2CC2CC1CC(=O)O

InChI

InChI=1S/C9H14O2/c10-9(11)4-6-1-2-7-5-8(7)3-6/h6-8H,1-5H2,(H,10,11)

InChIKey

NJGZYXPJPARJDI-UHFFFAOYSA-N

Compound name

2-(3-bicyclo[4.1.0]heptanyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 154.09938 Da
Monoisotopic Mass: 2.2
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	132.6
[M+Na]+	177.08860	144.1
[M+NH4]+	172.13320	142.0
[M+K]+	193.06254	140.2
[M-H]-	153.09210	140.5
[M+Na-2H]-	175.07405	138.7
[M]+	154.09883	137.4
[M]-	154.09993	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.