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

10
Annotation Hits: 736
References: 75049
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]+	137.132476	139.4
[M+Na]+	159.114418	145.8
[M-H]-	135.117924	139.3
[M+NH4]+	154.159023	161.4
[M+K]+	175.088358	146.0
[M+H-H2O]+	119.122460	131.9
[M+HCOO]-	181.123401	153.0
[M+CH3COO]-	195.139051	184.1
[M+Na-2H]-	157.099866	148.7
[M]+	136.12465142	149.2
[M]-	136.12574858	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe