CID 18453464

479253-00-4

Structural Information

Molecular Formula
C9H16FNO2
SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C1)F
InChI
InChI=1S/C9H16FNO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKey
SUECTKVSIDXQQE-ZETCQYMHSA-N
Compound name
tert-butyl (3S)-3-fluoropyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

257
Patents

189.1165 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12378 142.2
[M+Na]+ 212.10572 149.1
[M-H]- 188.10922 142.9
[M+NH4]+ 207.15032 162.6
[M+K]+ 228.07966 148.7
[M+H-H2O]+ 172.11376 136.0
[M+HCOO]- 234.11470 160.3
[M+CH3COO]- 248.13035 180.9
[M+Na-2H]- 210.09117 144.4
[M]+ 189.11595 140.5
[M]- 189.11705 140.5
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