CID 22502100

5-amino-2-(cyclopropylmethyl)-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C12H12N2O2
SMILES
C1CC1CN2C(=O)C3=C(C2=O)C=C(C=C3)N
InChI
InChI=1S/C12H12N2O2/c13-8-3-4-9-10(5-8)12(16)14(11(9)15)6-7-1-2-7/h3-5,7H,1-2,6,13H2
InChIKey
UERFHNPWKVKJIU-UHFFFAOYSA-N
Compound name
5-amino-2-(cyclopropylmethyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

216.08987 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 147.5
[M+Na]+ 239.079088 159.1
[M-H]- 215.082594 154.6
[M+NH4]+ 234.123693 162.7
[M+K]+ 255.053028 153.4
[M+H-H2O]+ 199.087130 141.1
[M+HCOO]- 261.088071 170.1
[M+CH3COO]- 275.103721 193.5
[M+Na-2H]- 237.064536 150.6
[M]+ 216.08932142 149.5
[M]- 216.09041858 149.5
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