CID 90469

1,4-dihydro-3(2h)-isoquinolinone

Structural Information

Molecular Formula
C9H9NO
SMILES
C1C2=CC=CC=C2CNC1=O
InChI
InChI=1S/C9H9NO/c11-9-5-7-3-1-2-4-8(7)6-10-9/h1-4H,5-6H2,(H,10,11)
InChIKey
MGZGPQCRWVOGFE-UHFFFAOYSA-N
Compound name
2,4-dihydro-1H-isoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

436
Patents

147.06842 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 129.0
[M+Na]+ 170.05764 142.4
[M+NH4]+ 165.10224 138.5
[M+K]+ 186.03158 135.2
[M-H]- 146.06114 131.2
[M+Na-2H]- 168.04309 135.7
[M]+ 147.06787 131.4
[M]- 147.06897 131.4
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