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]+ 215.092736 141.7
[M+Na]+ 237.074678 150.1
[M-H]- 213.078184 147.8
[M+NH4]+ 232.119283 160.2
[M+K]+ 253.048618 142.4
[M+H-H2O]+ 197.082720 138.1
[M+HCOO]- 259.083661 171.4
[M+CH3COO]- 273.099311 191.0
[M+Na-2H]- 235.060126 154.7
[M]+ 214.08491142 141.1
[M]- 214.08600858 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.