CID 103784

53446-63-2

Structural Information

Molecular Formula
C12H14O
SMILES
CC(C)C1CC2=CC=CC=C2C1=O
InChI
InChI=1S/C12H14O/c1-8(2)11-7-9-5-3-4-6-10(9)12(11)13/h3-6,8,11H,7H2,1-2H3
InChIKey
WBCAKNRIXCUKPZ-UHFFFAOYSA-N
Compound name
2-propan-2-yl-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

54
Patents

174.10446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.111736 137.5
[M+Na]+ 197.093678 145.9
[M-H]- 173.097184 142.3
[M+NH4]+ 192.138283 161.1
[M+K]+ 213.067618 143.2
[M+H-H2O]+ 157.101720 132.6
[M+HCOO]- 219.102661 159.8
[M+CH3COO]- 233.118311 182.4
[M+Na-2H]- 195.079126 141.3
[M]+ 174.10391142 137.5
[M]- 174.10500858 137.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe