CID 47003601

1-[(tert-butoxy)carbonyl]-3-fluoropyrrolidine-3-carboxylic acid

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

108
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 149.7
[M+Na]+ 256.09556 156.5
[M-H]- 232.09906 149.3
[M+NH4]+ 251.14016 169.4
[M+K]+ 272.06950 156.2
[M+H-H2O]+ 216.10360 144.8
[M+HCOO]- 278.10454 165.7
[M+CH3COO]- 292.12019 185.0
[M+Na-2H]- 254.08101 151.7
[M]+ 233.10579 148.4
[M]- 233.10689 148.4
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