CID 118681290

1868105-63-8

Structural Information

Molecular Formula
C14H18FNO3
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C(=CC(=C2)O)F
InChI
InChI=1S/C14H18FNO3/c1-14(2,3)19-13(18)16-5-4-9-6-10(17)7-12(15)11(9)8-16/h6-7,17H,4-5,8H2,1-3H3
InChIKey
UIWRHRHYVOSLDK-UHFFFAOYSA-N
Compound name
tert-butyl 8-fluoro-6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

267.12708 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13436 160.8
[M+Na]+ 290.11630 168.3
[M-H]- 266.11980 161.3
[M+NH4]+ 285.16090 177.0
[M+K]+ 306.09024 165.6
[M+H-H2O]+ 250.12434 153.8
[M+HCOO]- 312.12528 175.0
[M+CH3COO]- 326.14093 195.4
[M+Na-2H]- 288.10175 164.2
[M]+ 267.12653 159.5
[M]- 267.12763 159.5
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