CID 57366586

1260596-09-5

Structural Information

Molecular Formula
C15H21FN2O2
SMILES
CC(C)(C)OC(=O)N[C@@H]1CNC[C@H]1C2=CC(=CC=C2)F
InChI
InChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-13-9-17-8-12(13)10-5-4-6-11(16)7-10/h4-7,12-13,17H,8-9H2,1-3H3,(H,18,19)/t12-,13+/m0/s1
InChIKey
ZLFBUCKGGYNPOM-QWHCGFSZSA-N
Compound name
tert-butyl N-[(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
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 166.2
[M+Na]+ 303.14792 171.3
[M-H]- 279.15142 168.6
[M+NH4]+ 298.19252 181.7
[M+K]+ 319.12186 167.8
[M+H-H2O]+ 263.15596 158.2
[M+HCOO]- 325.15690 183.4
[M+CH3COO]- 339.17255 198.1
[M+Na-2H]- 301.13337 167.0
[M]+ 280.15815 161.9
[M]- 280.15925 161.9
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