CID 186456

2-(3-azidopropyl)-1h-isoindole-1,3(2h)-dione

Structural Information

Molecular Formula
C11H10N4O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCN=[N+]=[N-]
InChI
InChI=1S/C11H10N4O2/c12-14-13-6-3-7-15-10(16)8-4-1-2-5-9(8)11(15)17/h1-2,4-5H,3,6-7H2
InChIKey
MMSQWAQECRXRGR-UHFFFAOYSA-N
Compound name
2-(3-azidopropyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

230.08037 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.08765 147.4
[M+Na]+ 253.06959 155.6
[M-H]- 229.07309 153.5
[M+NH4]+ 248.11419 167.0
[M+K]+ 269.04353 148.2
[M+H-H2O]+ 213.07763 144.3
[M+HCOO]- 275.07857 176.6
[M+CH3COO]- 289.09422 193.3
[M+Na-2H]- 251.05504 156.5
[M]+ 230.07982 146.9
[M]- 230.08092 146.9
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

No patent data available for this compound.