CID 49760960

Tert-butyl 5-fluoro-1,2-dihydrospiro[indole-3,4'-piperidine]-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C17H23FN2O2
SMILES
CC(C)(C)OC(=O)N1CC2(CCNCC2)C3=C1C=CC(=C3)F
InChI
InChI=1S/C17H23FN2O2/c1-16(2,3)22-15(21)20-11-17(6-8-19-9-7-17)13-10-12(18)4-5-14(13)20/h4-5,10,19H,6-9,11H2,1-3H3
InChIKey
GPKKXSAFDWGFOL-UHFFFAOYSA-N
Compound name
tert-butyl 5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

306.17435 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18163 175.4
[M+Na]+ 329.16357 181.5
[M-H]- 305.16707 176.0
[M+NH4]+ 324.20817 192.1
[M+K]+ 345.13751 177.1
[M+H-H2O]+ 289.17161 167.2
[M+HCOO]- 351.17255 186.3
[M+CH3COO]- 365.18820 200.1
[M+Na-2H]- 327.14902 177.1
[M]+ 306.17380 170.1
[M]- 306.17490 170.1
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