CID 439592

(+)-sabinone

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

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

InChI

InChI=1S/C10H14O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8H,3-5H2,1-2H3/t8-,10+/m1/s1

InChIKey

PBLWMCQDAGOTPV-SCZZXKLOSA-N

Compound name

(1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 150.10446 Da
Monoisotopic Mass: 2.2
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]+	151.11174	134.4
[M+Na]+	173.09368	146.3
[M+NH4]+	168.13828	145.4
[M+K]+	189.06762	141.8
[M-H]-	149.09718	142.5
[M+Na-2H]-	171.07913	141.4
[M]+	150.10391	139.6
[M]-	150.10501	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe