CID 52911276

2059944-58-8

Structural Information

Molecular Formula
C11H14N2O
SMILES
CC1(C2=C(C=CC(=C2)N)N(C1=O)C)C
InChI
InChI=1S/C11H14N2O/c1-11(2)8-6-7(12)4-5-9(8)13(3)10(11)14/h4-6H,12H2,1-3H3
InChIKey
KJJOSNCOZFAVSP-UHFFFAOYSA-N
Compound name
5-amino-1,3,3-trimethylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

190.11061 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 139.6
[M+Na]+ 213.099828 150.7
[M-H]- 189.103334 143.5
[M+NH4]+ 208.144433 163.3
[M+K]+ 229.073768 147.4
[M+H-H2O]+ 173.107870 134.6
[M+HCOO]- 235.108811 162.3
[M+CH3COO]- 249.124461 187.2
[M+Na-2H]- 211.085276 144.4
[M]+ 190.11006142 139.8
[M]- 190.11115858 139.8
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