CID 301202

2,2-dimethyl-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula
C11H12O
SMILES
CC1(CC2=CC=CC=C2C1=O)C
InChI
InChI=1S/C11H12O/c1-11(2)7-8-5-3-4-6-9(8)10(11)12/h3-6H,7H2,1-2H3
InChIKey
AFVDWGITABCILM-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
Patents

160.08882 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09610 131.8
[M+Na]+ 183.07804 142.0
[M-H]- 159.08154 137.1
[M+NH4]+ 178.12264 158.1
[M+K]+ 199.05198 139.1
[M+H-H2O]+ 143.08608 127.6
[M+HCOO]- 205.08702 155.5
[M+CH3COO]- 219.10267 178.0
[M+Na-2H]- 181.06349 138.5
[M]+ 160.08827 132.3
[M]- 160.08937 132.3
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