CID 440917

(+)-limonene

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

CC1=CC[C@@H](CC1)C(=C)C

InChI

InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1

InChIKey

XMGQYMWWDOXHJM-JTQLQIEISA-N

Compound name

(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene

Related CIDs

2D Structure

compound 2d structure

11
Annotation Hits: 2757
References: 84539
Patents: 136.1252 Da
Monoisotopic Mass: 3.4
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	129.9
[M+Na]+	159.11442	135.8
[M-H]-	135.11792	133.2
[M+NH4]+	154.15902	151.9
[M+K]+	175.08836	134.2
[M+H-H2O]+	119.12246	124.9
[M+HCOO]-	181.12340	150.5
[M+CH3COO]-	195.13905	176.3
[M+Na-2H]-	157.09987	133.9
[M]+	136.12465	126.4
[M]-	136.12575	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe