CID 15634960

15019-83-7

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C1CC2(CCC1C2)CC(=O)O

InChI

InChI=1S/C9H14O2/c10-8(11)6-9-3-1-7(5-9)2-4-9/h7H,1-6H2,(H,10,11)

InChIKey

NINSZYGJYPCNRP-UHFFFAOYSA-N

Compound name

2-(1-bicyclo[2.2.1]heptanyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 599
Patents: 154.09938 Da
Monoisotopic Mass: 2.4
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	136.9
[M+Na]+	177.08860	143.4
[M-H]-	153.09210	138.2
[M+NH4]+	172.13320	164.0
[M+K]+	193.06254	141.4
[M+H-H2O]+	137.09664	133.5
[M+HCOO]-	199.09758	156.3
[M+CH3COO]-	213.11323	172.5
[M+Na-2H]-	175.07405	140.7
[M]+	154.09883	134.6
[M]-	154.09993	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe