CID 638051

2-norbornen

Structural Information

Molecular Formula

C₇H₁₀

SMILES

C1C[C@H]2C[C@@H]1C=C2

InChI

InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2/t6-,7+

InChIKey

JFNLZVQOOSMTJK-KNVOCYPGSA-N

Compound name

(1S,4R)-bicyclo[2.2.1]hept-2-ene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 157
References: 152149
Patents: 94.07825 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]+	95.085526	118.8
[M+Na]+	117.06747	126.7
[M-H]-	93.070974	121.8
[M+NH4]+	112.11207	147.3
[M+K]+	133.04141	125.4
[M+H-H2O]+	77.075510	114.8
[M+HCOO]-	139.07645	142.3
[M+CH3COO]-	153.09210	133.9
[M+Na-2H]-	115.05292	125.1
[M]+	94.077701	117.3
[M]-	94.078799	117.3

Literature stripe

literature stripe

Patent stripe

patents stripe