CID 11030304

Mfcd02093006

Structural Information

Molecular Formula

C₁₃H₁₆

SMILES

CC(C)(C1=CC=CC1)C2=CC=CC2

InChI

InChI=1S/C13H16/c1-13(2,11-7-3-4-8-11)12-9-5-6-10-12/h3-7,9H,8,10H2,1-2H3

InChIKey

NSWUXAUIAZVROT-UHFFFAOYSA-N

Compound name

1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 172.1252 Da
Monoisotopic Mass: 3.7
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]+	173.13248	140.2
[M+Na]+	195.11442	147.6
[M-H]-	171.11792	147.2
[M+NH4]+	190.15902	164.0
[M+K]+	211.08836	145.1
[M+H-H2O]+	155.12246	134.9
[M+HCOO]-	217.12340	164.9
[M+CH3COO]-	231.13905	180.0
[M+Na-2H]-	193.09987	144.6
[M]+	172.12465	140.2
[M]-	172.12575	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe