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: 14
Patents: 202.07423 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.08151	143.2
[M+Na]+	225.06345	155.3
[M-H]-	201.06695	150.6
[M+NH4]+	220.10805	159.0
[M+K]+	241.03739	149.8
[M+H-H2O]+	185.07149	137.1
[M+HCOO]-	247.07243	166.2
[M+CH3COO]-	261.08808	190.6
[M+Na-2H]-	223.04890	146.9
[M]+	202.07368	145.0
[M]-	202.07478	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe