CID 57366592

1260602-03-6

Structural Information

Molecular Formula
C15H21FN2O2
SMILES
CC(C)(C)OC(=O)N[C@@H]1CNC[C@H]1C2=CC=CC=C2F
InChI
InChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-13-9-17-8-11(13)10-6-4-5-7-12(10)16/h4-7,11,13,17H,8-9H2,1-3H3,(H,18,19)/t11-,13+/m0/s1
InChIKey
XIPNTDCDXQQQDR-WCQYABFASA-N
Compound name
tert-butyl N-[(3S,4R)-4-(2-fluorophenyl)pyrrolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1587 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16598 167.1
[M+Na]+ 303.14792 175.0
[M+NH4]+ 298.19252 172.8
[M+K]+ 319.12186 172.2
[M-H]- 279.15142 167.1
[M+Na-2H]- 301.13337 170.8
[M]+ 280.15815 167.8
[M]- 280.15925 167.8
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.