CID 7460

Alpha-phellandrene

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

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

InChI

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

InChIKey

OGLDWXZKYODSOB-UHFFFAOYSA-N

Compound name

2-methyl-5-propan-2-ylcyclohexa-1,3-diene

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 144
References: 7091
Patents: 136.1252 Da
Monoisotopic Mass: 3.2
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	129.4
[M+Na]+	159.11442	136.1
[M-H]-	135.11792	133.0
[M+NH4]+	154.15902	151.6
[M+K]+	175.08836	134.8
[M+H-H2O]+	119.12246	124.3
[M+HCOO]-	181.12340	151.2
[M+CH3COO]-	195.13905	176.8
[M+Na-2H]-	157.09987	134.4
[M]+	136.12465	128.0
[M]-	136.12575	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe