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: 3515
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]+	123.11683	123.3
[M+Na]+	145.09877	133.5
[M-H]-	121.10227	128.0
[M+NH4]+	140.14337	148.6
[M+K]+	161.07271	132.0
[M+H-H2O]+	105.10681	119.2
[M+HCOO]-	167.10775	148.6
[M+CH3COO]-	181.12340	175.0
[M+Na-2H]-	143.08422	127.5
[M]+	122.10900	125.1
[M]-	122.11010	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe