CID 253229

473-00-7

Structural Information

Molecular Formula

C₁₁H₁₆

SMILES

CC1(C2CC=C(C1C2)C=C)C

InChI

InChI=1S/C11H16/c1-4-8-5-6-9-7-10(8)11(9,2)3/h4-5,9-10H,1,6-7H2,2-3H3

InChIKey

HSBGCCSTQMHQPR-UHFFFAOYSA-N

Compound name

2-ethenyl-6,6-dimethylbicyclo[3.1.1]hept-2-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 148.1252 Da
Monoisotopic Mass: 3.3
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]+	149.13248	143.1
[M+Na]+	171.11442	150.1
[M-H]-	147.11792	143.2
[M+NH4]+	166.15902	164.7
[M+K]+	187.08836	149.9
[M+H-H2O]+	131.12246	135.4
[M+HCOO]-	193.12340	157.7
[M+CH3COO]-	207.13905	186.6
[M+Na-2H]-	169.09987	152.8
[M]+	148.12465	154.7
[M]-	148.12575	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe