CID 54480192

Dtxsid701163838

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CC1=CCC(C1(C)C)C=CC(C)(C)C(=O)C

InChI

InChI=1S/C15H24O/c1-11-7-8-13(15(11,5)6)9-10-14(3,4)12(2)16/h7,9-10,13H,8H2,1-6H3

InChIKey

XOLMHMBQANBLAK-UHFFFAOYSA-N

Compound name

3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 220.18271 Da
Monoisotopic Mass: 3.5
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]+	221.189986	152.0
[M+Na]+	243.171928	159.5
[M-H]-	219.175434	155.8
[M+NH4]+	238.216533	175.0
[M+K]+	259.145868	157.0
[M+H-H2O]+	203.179970	148.5
[M+HCOO]-	265.180911	172.0
[M+CH3COO]-	279.196561	192.5
[M+Na-2H]-	241.157376	153.7
[M]+	220.18216142	153.4
[M]-	220.18325858	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe