CID 2756017

(2s,4s)-1-[(tert-butoxy)carbonyl]-4-fluoropyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C10H16FNO4
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)O)F
InChI
InChI=1S/C10H16FNO4/c1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)/t6-,7-/m0/s1
InChIKey
YGWZXQOYEBWUTH-BQBZGAKWSA-N
Compound name
(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1155
Patents

233.10634 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.113616 150.3
[M+Na]+ 256.095558 157.1
[M-H]- 232.099064 150.0
[M+NH4]+ 251.140163 168.3
[M+K]+ 272.069498 156.5
[M+H-H2O]+ 216.103600 144.5
[M+HCOO]- 278.104541 166.3
[M+CH3COO]- 292.120191 186.7
[M+Na-2H]- 254.081006 150.2
[M]+ 233.10579142 149.1
[M]- 233.10688858 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe