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

1
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

patents stripe