CID 67294016

Tert-butyl 3-fluoropyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C9H16FNO2
SMILES
CC(C)(C)OC(=O)C1(CCNC1)F
InChI
InChI=1S/C9H16FNO2/c1-8(2,3)13-7(12)9(10)4-5-11-6-9/h11H,4-6H2,1-3H3
InChIKey
DGBADFUJKJZSLM-UHFFFAOYSA-N
Compound name
tert-butyl 3-fluoropyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

189.1165 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12378 142.4
[M+Na]+ 212.10572 148.7
[M-H]- 188.10922 141.7
[M+NH4]+ 207.15032 163.7
[M+K]+ 228.07966 147.7
[M+H-H2O]+ 172.11376 137.1
[M+HCOO]- 234.11470 159.0
[M+CH3COO]- 248.13035 177.3
[M+Na-2H]- 210.09117 146.1
[M]+ 189.11595 138.8
[M]- 189.11705 138.8
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