CID 20835

4711-96-0

Structural Information

Molecular Formula

C₁₃H₁₈

SMILES

C1CC(CC=C1)C2CC3CC2C=C3

InChI

InChI=1S/C13H18/c1-2-4-11(5-3-1)13-9-10-6-7-12(13)8-10/h1-2,6-7,10-13H,3-5,8-9H2

InChIKey

KKCXDWJDGRCIAB-UHFFFAOYSA-N

Compound name

5-cyclohex-3-en-1-ylbicyclo[2.2.1]hept-2-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 164
Patents: 174.14085 Da
Monoisotopic Mass: 4.0
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]+	175.148126	141.3
[M+Na]+	197.130068	146.9
[M-H]-	173.133574	146.7
[M+NH4]+	192.174673	166.4
[M+K]+	213.104008	143.5
[M+H-H2O]+	157.138110	135.9
[M+HCOO]-	219.139051	161.5
[M+CH3COO]-	233.154701	154.2
[M+Na-2H]-	195.115516	143.7
[M]+	174.14030142	136.9
[M]-	174.14139858	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe