CID 21149427

Campholene acetate

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

CC1=CC[C@H](C1(C)C)CCOC(=O)C

InChI

InChI=1S/C12H20O2/c1-9-5-6-11(12(9,3)4)7-8-14-10(2)13/h5,11H,6-8H2,1-4H3/t11-/m0/s1

InChIKey

HBRWKAJTMKFEQR-NSHDSACASA-N

Compound name

2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethyl acetate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 43
Patents: 196.14633 Da
Monoisotopic Mass: 2.7
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]+	197.15361	144.4
[M+Na]+	219.13555	152.3
[M-H]-	195.13905	148.3
[M+NH4]+	214.18015	168.2
[M+K]+	235.10949	151.2
[M+H-H2O]+	179.14359	140.3
[M+HCOO]-	241.14453	167.0
[M+CH3COO]-	255.16018	186.0
[M+Na-2H]-	217.12100	146.7
[M]+	196.14578	147.3
[M]-	196.14688	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe