CID 22501758

307990-29-0

Structural Information

Molecular Formula
C11H10N2O2
SMILES
C1CC1N2C(=O)C3=C(C2=O)C=C(C=C3)N
InChI
InChI=1S/C11H10N2O2/c12-6-1-4-8-9(5-6)11(15)13(10(8)14)7-2-3-7/h1,4-5,7H,2-3,12H2
InChIKey
ZDBRRTRQZCFUKJ-UHFFFAOYSA-N
Compound name
5-amino-2-cyclopropylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

202.07423 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 143.2
[M+Na]+ 225.063448 155.3
[M-H]- 201.066954 150.6
[M+NH4]+ 220.108053 159.0
[M+K]+ 241.037388 149.8
[M+H-H2O]+ 185.071490 137.1
[M+HCOO]- 247.072431 166.2
[M+CH3COO]- 261.088081 190.6
[M+Na-2H]- 223.048896 146.9
[M]+ 202.07368142 145.0
[M]- 202.07477858 145.0
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