CID 3074542

159212-53-0

Structural Information

Molecular Formula
C9H10N2O
SMILES
CC1C2=C(C=CC(=C2)N)NC1=O
InChI
InChI=1S/C9H10N2O/c1-5-7-4-6(10)2-3-8(7)11-9(5)12/h2-5H,10H2,1H3,(H,11,12)
InChIKey
FBGWTLQPDLOENE-UHFFFAOYSA-N
Compound name
5-amino-3-methyl-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.07932 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 132.5
[M+Na]+ 185.06854 142.1
[M-H]- 161.07204 134.6
[M+NH4]+ 180.11314 154.2
[M+K]+ 201.04248 138.2
[M+H-H2O]+ 145.07658 127.0
[M+HCOO]- 207.07752 154.3
[M+CH3COO]- 221.09317 177.9
[M+Na-2H]- 183.05399 137.2
[M]+ 162.07877 129.4
[M]- 162.07987 129.4
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

No patent data available for this compound.