CID 2756017

203866-13-1

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

1228
Patents

233.10634 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11362 153.1
[M+Na]+ 256.09556 159.1
[M+NH4]+ 251.14016 157.3
[M+K]+ 272.06950 159.2
[M-H]- 232.09906 148.6
[M+Na-2H]- 254.08101 152.6
[M]+ 233.10579 152.0
[M]- 233.10689 152.0
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