CID 91933835

Tert-butyl n-{[(2s,4s)-4-fluoropyrrolidin-2-yl]methyl}carbamate

Structural Information

Molecular Formula
C10H19FN2O2
SMILES
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CN1)F
InChI
InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-6-8-4-7(11)5-12-8/h7-8,12H,4-6H2,1-3H3,(H,13,14)/t7-,8-/m0/s1
InChIKey
BLEBGRGBFNZIIP-YUMQZZPRSA-N
Compound name
tert-butyl N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.14305 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.15033 151.3
[M+Na]+ 241.13227 156.3
[M-H]- 217.13577 150.4
[M+NH4]+ 236.17687 169.4
[M+K]+ 257.10621 154.8
[M+H-H2O]+ 201.14031 144.5
[M+HCOO]- 263.14125 168.6
[M+CH3COO]- 277.15690 186.2
[M+Na-2H]- 239.11772 152.9
[M]+ 218.14250 147.2
[M]- 218.14360 147.2
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.