CID 10942489

(+)-apoverbenone

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

CC1([C@@H]2C[C@H]1C(=O)C=C2)C

InChI

InChI=1S/C9H12O/c1-9(2)6-3-4-8(10)7(9)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7-/m0/s1

InChIKey

NNPXUZFTLBPVNP-BQBZGAKWSA-N

Compound name

(1R,5R)-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 136.08882 Da
Monoisotopic Mass: 1.7
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]+	137.09610	123.7
[M+Na]+	159.07804	131.3
[M+NH4]+	154.12264	132.4
[M+K]+	175.05198	124.6
[M-H]-	135.08154	120.5
[M+Na-2H]-	157.06349	123.5
[M]+	136.08827	123.0
[M]-	136.08937	123.0

Literature stripe

literature stripe

Patent stripe

patents stripe