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 150.3
[M+Na]+ 256.09556 157.1
[M-H]- 232.09906 150.0
[M+NH4]+ 251.14016 168.3
[M+K]+ 272.06950 156.5
[M+H-H2O]+ 216.10360 144.5
[M+HCOO]- 278.10454 166.3
[M+CH3COO]- 292.12019 186.7
[M+Na-2H]- 254.08101 150.2
[M]+ 233.10579 149.1
[M]- 233.10689 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.