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]+ 231.087646 147.4
[M+Na]+ 253.069588 155.6
[M-H]- 229.073094 153.5
[M+NH4]+ 248.114193 167.0
[M+K]+ 269.043528 148.2
[M+H-H2O]+ 213.077630 144.3
[M+HCOO]- 275.078571 176.6
[M+CH3COO]- 289.094221 193.3
[M+Na-2H]- 251.055036 156.5
[M]+ 230.07982142 146.9
[M]- 230.08091858 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

literature stripe

Patent stripe

patents stripe