CID 101717

497-32-5

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

CC1(CC2CC1CC2=C)C

InChI

InChI=1S/C10H16/c1-7-4-9-5-8(7)6-10(9,2)3/h8-9H,1,4-6H2,2-3H3

InChIKey

NJZUUYADLXBQPA-UHFFFAOYSA-N

Compound name

2,2-dimethyl-5-methylidenebicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 136.1252 Da
Monoisotopic Mass: 3.1
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]+	137.13248	131.3
[M+Na]+	159.11442	141.1
[M+NH4]+	154.15902	143.2
[M+K]+	175.08836	135.8
[M-H]-	135.11792	132.5
[M+Na-2H]-	157.09987	134.7
[M]+	136.12465	133.0
[M]-	136.12575	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe