CID 165766765

Tert-butyl1-hydroxyisoquinoline-6-carboxylate

Structural Information

Molecular Formula
C14H15NO3
SMILES
CC(C)(C)OC(=O)C1=CC2=C(C=C1)C(=O)NC=C2
InChI
InChI=1S/C14H15NO3/c1-14(2,3)18-13(17)10-4-5-11-9(8-10)6-7-15-12(11)16/h4-8H,1-3H3,(H,15,16)
InChIKey
CGJPQOCOUVEFMO-UHFFFAOYSA-N
Compound name
tert-butyl 1-oxo-2H-isoquinoline-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1052 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 154.1
[M+Na]+ 268.09442 167.1
[M+NH4]+ 263.13902 161.1
[M+K]+ 284.06836 161.7
[M-H]- 244.09792 154.5
[M+Na-2H]- 266.07987 159.7
[M]+ 245.10465 156.0
[M]- 245.10575 156.0
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.