CID 313100

3,3-dimethyl-1,3-dihydro-indol-2-one

Structural Information

Molecular Formula
C10H11NO
SMILES
CC1(C2=CC=CC=C2NC1=O)C
InChI
InChI=1S/C10H11NO/c1-10(2)7-5-3-4-6-8(7)11-9(10)12/h3-6H,1-2H3,(H,11,12)
InChIKey
KEZHRKOVLKUYCQ-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1442
Patents

161.08406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 132.6
[M+Na]+ 184.07328 142.7
[M-H]- 160.07678 135.1
[M+NH4]+ 179.11788 156.7
[M+K]+ 200.04722 139.2
[M+H-H2O]+ 144.08132 127.6
[M+HCOO]- 206.08226 153.8
[M+CH3COO]- 220.09791 175.0
[M+Na-2H]- 182.05873 139.2
[M]+ 161.08351 131.4
[M]- 161.08461 131.4
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