CID 165431149

Tert-butyl 2-ethynyl-4,4-difluoropyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H15F2NO2
SMILES
CC(C)(C)OC(=O)N1CC(CC1C#C)(F)F
InChI
InChI=1S/C11H15F2NO2/c1-5-8-6-11(12,13)7-14(8)9(15)16-10(2,3)4/h1,8H,6-7H2,2-4H3
InChIKey
RZPNXCDJCNVCHL-UHFFFAOYSA-N
Compound name
tert-butyl 2-ethynyl-4,4-difluoropyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10709 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11437 145.8
[M+Na]+ 254.09631 156.1
[M-H]- 230.09981 144.6
[M+NH4]+ 249.14091 164.3
[M+K]+ 270.07025 152.9
[M+H-H2O]+ 214.10435 133.7
[M+HCOO]- 276.10529 157.5
[M+CH3COO]- 290.12094 196.1
[M+Na-2H]- 252.08176 147.0
[M]+ 231.10654 138.5
[M]- 231.10764 138.5
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

No patent data available for this compound.