CID 51441475

Tert-butyl n-[(2r)-2-(4-fluorophenyl)-2-hydroxyethyl]carbamate

Structural Information

Molecular Formula
C13H18FNO3
SMILES
CC(C)(C)OC(=O)NC[C@@H](C1=CC=C(C=C1)F)O
InChI
InChI=1S/C13H18FNO3/c1-13(2,3)18-12(17)15-8-11(16)9-4-6-10(14)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,17)/t11-/m0/s1
InChIKey
GAHLVVSVSXNJDS-NSHDSACASA-N
Compound name
tert-butyl N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.12708 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13436 158.2
[M+Na]+ 278.11630 163.8
[M-H]- 254.11980 159.0
[M+NH4]+ 273.16090 174.4
[M+K]+ 294.09024 162.1
[M+H-H2O]+ 238.12434 151.3
[M+HCOO]- 300.12528 177.2
[M+CH3COO]- 314.14093 194.9
[M+Na-2H]- 276.10175 161.1
[M]+ 255.12653 157.7
[M]- 255.12763 157.7
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