CID 4836159

63586-82-3

Structural Information

Molecular Formula
C10H9NO3
SMILES
C1C(NC(=O)C2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C10H9NO3/c12-9-7-4-2-1-3-6(7)5-8(11-9)10(13)14/h1-4,8H,5H2,(H,11,12)(H,13,14)
InChIKey
YXSGIZSINDRUBG-UHFFFAOYSA-N
Compound name
1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

39
Patents

191.05824 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 139.0
[M+Na]+ 214.04746 150.7
[M+NH4]+ 209.09206 146.4
[M+K]+ 230.02140 145.7
[M-H]- 190.05096 139.2
[M+Na-2H]- 212.03291 143.2
[M]+ 191.05769 140.4
[M]- 191.05879 140.4
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