CID 43243

O-mentha-1,4-diene

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

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

InChI

InChI=1S/C10H16/c1-8(2)10-7-5-4-6-9(10)3/h4-5,8H,6-7H2,1-3H3

InChIKey

RXFJXUYDBQZLSW-UHFFFAOYSA-N

Compound name

1-methyl-2-propan-2-ylcyclohexa-1,4-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 20
Patents: 136.1252 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]+	137.13248	130.1
[M+Na]+	159.11442	143.1
[M+NH4]+	154.15902	140.1
[M+K]+	175.08836	136.0
[M-H]-	135.11792	133.3
[M+Na-2H]-	157.09987	137.3
[M]+	136.12465	132.9
[M]-	136.12575	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe