CID 90978

23787-90-8

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CC1(CCC(=O)C2C13CCC(C3)C2(C)C)C

InChI

InChI=1S/C15H24O/c1-13(2)7-6-11(16)12-14(3,4)10-5-8-15(12,13)9-10/h10,12H,5-9H2,1-4H3

InChIKey

VCOCESNMLNDPLX-UHFFFAOYSA-N

Compound name

2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2726
Patents: 220.18271 Da
Monoisotopic Mass: 4.0
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]+	221.18999	152.3
[M+Na]+	243.17193	161.0
[M-H]-	219.17543	156.9
[M+NH4]+	238.21653	182.8
[M+K]+	259.14587	156.7
[M+H-H2O]+	203.17997	149.0
[M+HCOO]-	265.18091	169.1
[M+CH3COO]-	279.19656	191.5
[M+Na-2H]-	241.15738	155.2
[M]+	220.18216	150.8
[M]-	220.18326	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe