CID 10538586

216064-48-1

Structural Information

Molecular Formula
C14H19NO3
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2O
InChI
InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-8-7-11-10(9-15)5-4-6-12(11)16/h4-6,16H,7-9H2,1-3H3
InChIKey
HOTHBGIMLRDQNB-UHFFFAOYSA-N
Compound name
tert-butyl 5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

271
Patents

249.13649 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 158.0
[M+Na]+ 272.12571 164.6
[M-H]- 248.12921 159.5
[M+NH4]+ 267.17031 174.7
[M+K]+ 288.09965 162.2
[M+H-H2O]+ 232.13375 151.7
[M+HCOO]- 294.13469 173.3
[M+CH3COO]- 308.15034 191.4
[M+Na-2H]- 270.11116 162.7
[M]+ 249.13594 157.4
[M]- 249.13704 157.4
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

patents stripe