CID 10887971

(+)-sabinene

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

CC(C)[C@]12CCC(=C)[C@H]1C2

InChI

InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m1/s1

InChIKey

NDVASEGYNIMXJL-NXEZZACHSA-N

Compound name

(1R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 310
References: 8431
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	132.2
[M+Na]+	159.11442	144.1
[M+NH4]+	154.15902	143.9
[M+K]+	175.08836	139.0
[M-H]-	135.11792	140.9
[M+Na-2H]-	157.09987	139.8
[M]+	136.12465	137.6
[M]-	136.12575	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe