CID 138111664

Tert-butyl 3-ethynyl-3-fluoropyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H16FNO2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C#C)F
InChI
InChI=1S/C11H16FNO2/c1-5-11(12)6-7-13(8-11)9(14)15-10(2,3)4/h1H,6-8H2,2-4H3
InChIKey
COPKPGQMTZSZEI-UHFFFAOYSA-N
Compound name
tert-butyl 3-ethynyl-3-fluoropyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

213.1165 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12378 146.4
[M+Na]+ 236.10572 156.0
[M-H]- 212.10922 146.1
[M+NH4]+ 231.15032 165.4
[M+K]+ 252.07966 152.9
[M+H-H2O]+ 196.11376 134.7
[M+HCOO]- 258.11470 158.9
[M+CH3COO]- 272.13035 192.6
[M+Na-2H]- 234.09117 148.5
[M]+ 213.11595 139.9
[M]- 213.11705 139.9
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