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

10
Annotation Hits: 1757
References: 65974
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	125.1
[M+Na]+	159.11442	133.0
[M+NH4]+	154.15902	134.5
[M+K]+	175.08836	125.6
[M-H]-	135.11792	122.6
[M+Na-2H]-	157.09987	125.2
[M]+	136.12465	124.7
[M]-	136.12575	124.7

Literature stripe

literature stripe

Patent stripe

patents stripe