CID 121719

Pinocarvone

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CC1(C2CC1C(=C)C(=O)C2)C

InChI

InChI=1S/C10H14O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-8H,1,4-5H2,2-3H3

InChIKey

TZDMGBLPGZXHJI-UHFFFAOYSA-N

Compound name

6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 13
References: 735
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]+	151.111736	140.8
[M+Na]+	173.093678	148.1
[M-H]-	149.097184	140.9
[M+NH4]+	168.138283	162.3
[M+K]+	189.067618	148.3
[M+H-H2O]+	133.101720	133.5
[M+HCOO]-	195.102661	154.6
[M+CH3COO]-	209.118311	186.2
[M+Na-2H]-	171.079126	149.6
[M]+	150.10391142	151.7
[M]-	150.10500858	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe