CID 27021

15087-24-8

Structural Information

Molecular Formula

C₁₇H₂₀O

SMILES

CC1(C2CCC1(C(=O)C2=CC3=CC=CC=C3)C)C

InChI

InChI=1S/C17H20O/c1-16(2)14-9-10-17(16,3)15(18)13(14)11-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3

InChIKey

OIQXFRANQVWXJF-UHFFFAOYSA-N

Compound name

3-benzylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 32
References: 22018
Patents: 240.15141 Da
Monoisotopic Mass: 4.1
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]+	241.15869	157.0
[M+Na]+	263.14063	166.5
[M-H]-	239.14413	163.8
[M+NH4]+	258.18523	184.2
[M+K]+	279.11457	161.1
[M+H-H2O]+	223.14867	152.6
[M+HCOO]-	285.14961	177.9
[M+CH3COO]-	299.16526	170.5
[M+Na-2H]-	261.12608	159.5
[M]+	240.15086	156.9
[M]-	240.15196	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe