CID 47003601

1001754-59-1

Structural Information

Molecular Formula
C10H16FNO4
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C(=O)O)F
InChI
InChI=1S/C10H16FNO4/c1-9(2,3)16-8(15)12-5-4-10(11,6-12)7(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKey
YVMHYDQOUZWQQA-UHFFFAOYSA-N
Compound name
3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

233.10634 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11362 152.4
[M+Na]+ 256.09556 158.1
[M+NH4]+ 251.14016 158.0
[M+K]+ 272.06950 156.4
[M-H]- 232.09906 147.8
[M+Na-2H]- 254.08101 153.9
[M]+ 233.10579 151.4
[M]- 233.10689 151.4
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

patents stripe