CID 10060623

158984-83-9

Structural Information

Molecular Formula
C14H19NO3
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)O
InChI
InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-7-6-10-8-12(16)5-4-11(10)9-15/h4-5,8,16H,6-7,9H2,1-3H3
InChIKey
IVHHZZKGSYGTKZ-UHFFFAOYSA-N
Compound name
tert-butyl 6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

321
Patents

249.13649 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.143766 158.0
[M+Na]+ 272.125708 164.6
[M-H]- 248.129214 159.5
[M+NH4]+ 267.170313 174.7
[M+K]+ 288.099648 162.2
[M+H-H2O]+ 232.133750 151.7
[M+HCOO]- 294.134691 173.3
[M+CH3COO]- 308.150341 191.4
[M+Na-2H]- 270.111156 162.7
[M]+ 249.13594142 157.4
[M]- 249.13703858 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

literature stripe

Patent stripe

patents stripe