CID 633714

T-butylcyclopentadiene

Structural Information

Molecular Formula

C₉H₁₄

SMILES

CC(C)(C)C1=CC=CC1

InChI

InChI=1S/C9H14/c1-9(2,3)8-6-4-5-7-8/h4-6H,7H2,1-3H3

InChIKey

NWFVDKHZNWEXAD-UHFFFAOYSA-N

Compound name

1-tert-butylcyclopenta-1,3-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1198
Patents: 122.10955 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]+	123.11683	126.9
[M+Na]+	145.09877	138.6
[M+NH4]+	140.14337	136.7
[M+K]+	161.07271	134.0
[M-H]-	121.10227	128.9
[M+Na-2H]-	143.08422	133.7
[M]+	122.10900	129.2
[M]-	122.11010	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe