CID 78962

Nortricyclene

Structural Information

Molecular Formula

C₇H₁₀

SMILES

C1C2CC3C1C3C2

InChI

InChI=1S/C7H10/c1-4-2-6-5(1)7(6)3-4/h4-7H,1-3H2

InChIKey

BYBGSCXPMGPLFP-UHFFFAOYSA-N

Compound name

tricyclo[2.2.1.02,6]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 1127
Patents: 94.07825 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]+	95.085526	115.0
[M+Na]+	117.06747	125.2
[M-H]-	93.070974	117.8
[M+NH4]+	112.11207	142.5
[M+K]+	133.04141	121.8
[M+H-H2O]+	77.075510	112.1
[M+HCOO]-	139.07645	134.0
[M+CH3COO]-	153.09210	129.8
[M+Na-2H]-	115.05292	122.5
[M]+	94.077701	121.4
[M]-	94.078799	121.4

Literature stripe

literature stripe

Patent stripe

patents stripe