CID 79139

Norborn-2-ylacetic acid

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C1CC2CC1CC2CC(=O)O

InChI

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

InChIKey

FYHBMPWRHCWNBC-UHFFFAOYSA-N

Compound name

2-(2-bicyclo[2.2.1]heptanyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1017
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	136.2
[M+Na]+	177.08860	142.5
[M-H]-	153.09210	137.4
[M+NH4]+	172.13320	161.5
[M+K]+	193.06254	140.6
[M+H-H2O]+	137.09664	132.4
[M+HCOO]-	199.09758	155.5
[M+CH3COO]-	213.11323	174.1
[M+Na-2H]-	175.07405	138.2
[M]+	154.09883	133.9
[M]-	154.09993	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe