CID 81883579

2060052-57-3

Structural Information

Molecular Formula
C12H14N2O2
SMILES
C1=CC=C2C(=C1)C=CN(C2=O)CC(CN)O
InChI
InChI=1S/C12H14N2O2/c13-7-10(15)8-14-6-5-9-3-1-2-4-11(9)12(14)16/h1-6,10,15H,7-8,13H2
InChIKey
LIISBXOIHLNBQP-UHFFFAOYSA-N
Compound name
2-(3-amino-2-hydroxypropyl)isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.10553 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 146.9
[M+Na]+ 241.09475 159.5
[M+NH4]+ 236.13935 154.6
[M+K]+ 257.06869 153.4
[M-H]- 217.09825 148.8
[M+Na-2H]- 239.08020 152.8
[M]+ 218.10498 149.1
[M]- 218.10608 149.1
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.