CID 16775055

1214232-17-3

Structural Information

Molecular Formula
C9H10N2O
SMILES
CC1=CC2=C(C=C1)NC(=O)C2N
InChI
InChI=1S/C9H10N2O/c1-5-2-3-7-6(4-5)8(10)9(12)11-7/h2-4,8H,10H2,1H3,(H,11,12)
InChIKey
FUHGCDMBTBHYJA-UHFFFAOYSA-N
Compound name
3-amino-5-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

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.086596 132.5
[M+Na]+ 185.068538 142.1
[M-H]- 161.072044 134.6
[M+NH4]+ 180.113143 154.2
[M+K]+ 201.042478 138.2
[M+H-H2O]+ 145.076580 127.0
[M+HCOO]- 207.077521 154.3
[M+CH3COO]- 221.093171 177.9
[M+Na-2H]- 183.053986 137.2
[M]+ 162.07877142 129.4
[M]- 162.07986858 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

No literature data available for this compound.

Patent stripe

patents stripe