CID 81883517

2-(2-azidoethyl)-1,2-dihydroisoquinolin-1-one

Structural Information

Molecular Formula
C11H10N4O
SMILES
C1=CC=C2C(=C1)C=CN(C2=O)CCN=[N+]=[N-]
InChI
InChI=1S/C11H10N4O/c12-14-13-6-8-15-7-5-9-3-1-2-4-10(9)11(15)16/h1-5,7H,6,8H2
InChIKey
USVGUTWEDJPJIY-UHFFFAOYSA-N
Compound name
2-(2-azidoethyl)isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.08546 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09274 141.7
[M+Na]+ 237.07468 150.1
[M-H]- 213.07818 147.8
[M+NH4]+ 232.11928 160.2
[M+K]+ 253.04862 142.4
[M+H-H2O]+ 197.08272 138.1
[M+HCOO]- 259.08366 171.4
[M+CH3COO]- 273.09931 191.0
[M+Na-2H]- 235.06013 154.7
[M]+ 214.08491 141.1
[M]- 214.08601 141.1
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.