CID 22874327

Tert-butyl n-((2s)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl)carbamate

Structural Information

Molecular Formula
C14H20FNO3
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)F)CO
InChI
InChI=1S/C14H20FNO3/c1-14(2,3)19-13(18)16-12(9-17)8-10-4-6-11(15)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKey
JQWRPZQKWUZPRC-LBPRGKRZSA-N
Compound name
tert-butyl N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

269.14273 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.15001 162.9
[M+Na]+ 292.13195 168.0
[M-H]- 268.13545 163.5
[M+NH4]+ 287.17655 178.5
[M+K]+ 308.10589 166.1
[M+H-H2O]+ 252.13999 155.8
[M+HCOO]- 314.14093 181.6
[M+CH3COO]- 328.15658 197.9
[M+Na-2H]- 290.11740 165.2
[M]+ 269.14218 162.8
[M]- 269.14328 162.8
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

patents stripe