CID 14896

Beta-pinene

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

CC1(C2CCC(=C)C1C2)C

InChI

InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3

InChIKey

WTARULDDTDQWMU-UHFFFAOYSA-N

Compound name

6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 731
References: 51257
Patents: 136.1252 Da
Monoisotopic Mass: 3.1
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	127.2
[M+Na]+	159.11442	134.1
[M+NH4]+	154.15902	136.2
[M+K]+	175.08836	126.8
[M-H]-	135.11792	124.2
[M+Na-2H]-	157.09987	126.2
[M]+	136.12465	126.4
[M]-	136.12575	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe