CID 53256059

1286208-05-6

Structural Information

Molecular Formula
C16H21FN2O3
SMILES
CC(C)(C)OC(=O)N[C@H]1CCN(C1)C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C16H21FN2O3/c1-16(2,3)22-15(21)18-13-8-9-19(10-13)14(20)11-4-6-12(17)7-5-11/h4-7,13H,8-10H2,1-3H3,(H,18,21)/t13-/m0/s1
InChIKey
FTGOZNIDLXZUMV-ZDUSSCGKSA-N
Compound name
tert-butyl N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15363 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16091 172.1
[M+Na]+ 331.14285 177.1
[M-H]- 307.14635 176.0
[M+NH4]+ 326.18745 187.0
[M+K]+ 347.11679 174.9
[M+H-H2O]+ 291.15089 163.8
[M+HCOO]- 353.15183 189.9
[M+CH3COO]- 367.16748 205.1
[M+Na-2H]- 329.12830 171.9
[M]+ 308.15308 170.2
[M]- 308.15418 170.2
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.