CID 12829237

13567-57-2

Structural Information

Molecular Formula

C₁₁H₁₈

SMILES

CC1(C2CCC(C2)(C1=C)C)C

InChI

InChI=1S/C11H18/c1-8-10(2,3)9-5-6-11(8,4)7-9/h9H,1,5-7H2,2-4H3

InChIKey

IWWRARFUNWPJJJ-UHFFFAOYSA-N

Compound name

1,3,3-trimethyl-2-methylidenebicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 150.14085 Da
Monoisotopic Mass: 3.9
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]+	151.14813	134.6
[M+Na]+	173.13007	143.9
[M-H]-	149.13357	138.0
[M+NH4]+	168.17467	165.4
[M+K]+	189.10401	140.8
[M+H-H2O]+	133.13811	132.0
[M+HCOO]-	195.13905	155.4
[M+CH3COO]-	209.15470	178.4
[M+Na-2H]-	171.11552	138.9
[M]+	150.14030	133.6
[M]-	150.14140	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe