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

13
Patents

216.08987 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 147.5
[M+Na]+ 239.07909 159.1
[M-H]- 215.08259 154.6
[M+NH4]+ 234.12369 162.7
[M+K]+ 255.05303 153.4
[M+H-H2O]+ 199.08713 141.1
[M+HCOO]- 261.08807 170.1
[M+CH3COO]- 275.10372 193.5
[M+Na-2H]- 237.06454 150.6
[M]+ 216.08932 149.5
[M]- 216.09042 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