CID 12496565

6-amino-2,3-dihydro-2-methyl-1h-isoindol-1-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

162.07932 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 131.9
[M+Na]+ 185.06854 141.9
[M-H]- 161.07204 135.4
[M+NH4]+ 180.11314 154.3
[M+K]+ 201.04248 138.9
[M+H-H2O]+ 145.07658 126.1
[M+HCOO]- 207.07752 155.2
[M+CH3COO]- 221.09317 180.4
[M+Na-2H]- 183.05399 137.1
[M]+ 162.07877 130.6
[M]- 162.07987 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

literature stripe

Patent stripe

patents stripe