CID 19967616

1-methyldicyclopentadiene

Structural Information

Molecular Formula

C₁₁H₁₄

SMILES

CC1C=CC2C1C3CC2C=C3

InChI

InChI=1S/C11H14/c1-7-2-5-10-8-3-4-9(6-8)11(7)10/h2-5,7-11H,6H2,1H3

InChIKey

VRLWYYZVFNNMET-UHFFFAOYSA-N

Compound name

5-methyltricyclo[5.2.1.02,6]deca-3,8-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1299
Patents: 146.10954 Da
Monoisotopic Mass: 2.8
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]+	147.11682	134.9
[M+Na]+	169.09876	144.1
[M-H]-	145.10226	139.5
[M+NH4]+	164.14336	164.5
[M+K]+	185.07270	141.2
[M+H-H2O]+	129.10680	131.6
[M+HCOO]-	191.10774	157.6
[M+CH3COO]-	205.12339	149.7
[M+Na-2H]-	167.08421	137.7
[M]+	146.10899	135.2
[M]-	146.11009	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe