CID 138163

4249-10-9

Structural Information

Molecular Formula

C₉H₁₄

SMILES

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

InChI

InChI=1S/C9H14/c1-6-5-7(2)9(4)8(6)3/h5H2,1-4H3

InChIKey

VNPQQEYMXYCAEZ-UHFFFAOYSA-N

Compound name

1,2,3,4-tetramethylcyclopenta-1,3-diene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 3007
Patents: 122.10955 Da
Monoisotopic Mass: 1.5
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]+	123.116826	123.3
[M+Na]+	145.098768	133.5
[M-H]-	121.102274	128.0
[M+NH4]+	140.143373	148.6
[M+K]+	161.072708	132.0
[M+H-H2O]+	105.106810	119.2
[M+HCOO]-	167.107751	148.6
[M+CH3COO]-	181.123401	175.0
[M+Na-2H]-	143.084216	127.5
[M]+	122.10900142	125.1
[M]-	122.11009858	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe