CID 52911247

1190380-38-1

Structural Information

Molecular Formula
C9H10N2O
SMILES
CN1CC2=C(C1=O)C=CC(=C2)N
InChI
InChI=1S/C9H10N2O/c1-11-5-6-4-7(10)2-3-8(6)9(11)12/h2-4H,5,10H2,1H3
InChIKey
VNYNRNAJJGDULT-UHFFFAOYSA-N
Compound name
5-amino-2-methyl-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
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 131.9
[M+Na]+ 185.068538 141.9
[M-H]- 161.072044 135.4
[M+NH4]+ 180.113143 154.3
[M+K]+ 201.042478 138.9
[M+H-H2O]+ 145.076580 126.1
[M+HCOO]- 207.077521 155.2
[M+CH3COO]- 221.093171 180.4
[M+Na-2H]- 183.053986 137.1
[M]+ 162.07877142 130.6
[M]- 162.07986858 130.6
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