CID 21584946

825-71-8

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

C1C2CC(C1C=C2)CC(=O)O

InChI

InChI=1S/C9H12O2/c10-9(11)5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2,(H,10,11)

InChIKey

HRVGJQMCNYJEHM-UHFFFAOYSA-N

Compound name

2-(2-bicyclo[2.2.1]hept-5-enyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 821
Patents: 152.08372 Da
Monoisotopic Mass: 1.6
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]+	153.09100	134.1
[M+Na]+	175.07294	141.5
[M-H]-	151.07644	135.9
[M+NH4]+	170.11754	159.7
[M+K]+	191.04688	139.5
[M+H-H2O]+	135.08098	130.4
[M+HCOO]-	197.08192	155.0
[M+CH3COO]-	211.09757	173.7
[M+Na-2H]-	173.05839	137.2
[M]+	152.08317	133.4
[M]-	152.08427	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe