CID 6654

Alpha-pinene

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

CC1=CCC2CC1C2(C)C

InChI

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

InChIKey

GRWFGVWFFZKLTI-UHFFFAOYSA-N

Compound name

2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

Related CIDs

2D Structure

compound 2d structure

11
Annotation Hits: 1772
References: 65999
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	139.6
[M+Na]+	159.11442	146.8
[M-H]-	135.11792	139.9
[M+NH4]+	154.15902	161.8
[M+K]+	175.08836	147.4
[M+H-H2O]+	119.12246	132.1
[M+HCOO]-	181.12340	154.5
[M+CH3COO]-	195.13905	184.5
[M+Na-2H]-	157.09987	149.9
[M]+	136.12465	151.6
[M]-	136.12575	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe