CID 13589229

6-amino-3,3-dimethylindolin-2-one

Structural Information

Molecular Formula
C10H12N2O
SMILES
CC1(C2=C(C=C(C=C2)N)NC1=O)C
InChI
InChI=1S/C10H12N2O/c1-10(2)7-4-3-6(11)5-8(7)12-9(10)13/h3-5H,11H2,1-2H3,(H,12,13)
InChIKey
IWARVYFPBLDOAK-UHFFFAOYSA-N
Compound name
6-amino-3,3-dimethyl-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

176.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.102236 136.3
[M+Na]+ 199.084178 146.6
[M-H]- 175.087684 138.7
[M+NH4]+ 194.128783 159.6
[M+K]+ 215.058118 142.6
[M+H-H2O]+ 159.092220 131.4
[M+HCOO]- 221.093161 157.9
[M+CH3COO]- 235.108811 180.5
[M+Na-2H]- 197.069626 141.8
[M]+ 176.09441142 134.0
[M]- 176.09550858 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe