CID 71743152

1427501-91-4

Structural Information

Molecular Formula
C10H16FNO4
SMILES
CC(C)(C)OC(=O)N1C[C@@H]([C@@H](C1)F)C(=O)O
InChI
InChI=1S/C10H16FNO4/c1-10(2,3)16-9(15)12-4-6(8(13)14)7(11)5-12/h6-7H,4-5H2,1-3H3,(H,13,14)/t6-,7+/m0/s1
InChIKey
HEDHHUUQWWXVTC-NKWVEPMBSA-N
Compound name
(3R,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.10634 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.