CID 66841

Beta-terpinene

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

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

InChI

InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h6,8H,3-5,7H2,1-2H3

InChIKey

SCWPFSIZUZUCCE-UHFFFAOYSA-N

Compound name

4-methylidene-1-propan-2-ylcyclohexene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 251
References: 1505
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	131.2
[M+Na]+	159.11442	143.3
[M+NH4]+	154.15902	140.9
[M+K]+	175.08836	136.3
[M-H]-	135.11792	134.0
[M+Na-2H]-	157.09987	137.4
[M]+	136.12465	133.7
[M]-	136.12575	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe