CID 176983

P-mentha-1,3,8-triene

Structural Information

Molecular Formula

C₁₀H₁₄

SMILES

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

InChI

InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4,6H,1,5,7H2,2-3H3

InChIKey

XNMPFDIYAMOYRM-UHFFFAOYSA-N

Compound name

1-methyl-4-prop-1-en-2-ylcyclohexa-1,3-diene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 149
Patents: 134.10954 Da
Monoisotopic Mass: 3.0
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]+	135.11682	127.8
[M+Na]+	157.09876	134.8
[M-H]-	133.10226	131.5
[M+NH4]+	152.14336	150.0
[M+K]+	173.07270	133.0
[M+H-H2O]+	117.10680	122.8
[M+HCOO]-	179.10774	149.9
[M+CH3COO]-	193.12339	175.9
[M+Na-2H]-	155.08421	132.9
[M]+	134.10899	125.8
[M]-	134.11009	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe