CID 74349844

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

Structural Information

Molecular Formula
C10H14F2N2O2
SMILES
CC(C)(C)OC(=O)N1CC(CC1C#N)(F)F
InChI
InChI=1S/C10H14F2N2O2/c1-9(2,3)16-8(15)14-6-10(11,12)4-7(14)5-13/h7H,4,6H2,1-3H3
InChIKey
NZUSVVISTGILKC-UHFFFAOYSA-N
Compound name
tert-butyl 2-cyano-4,4-difluoropyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

232.10234 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.109616 145.0
[M+Na]+ 255.091558 154.9
[M-H]- 231.095064 144.8
[M+NH4]+ 250.136163 163.6
[M+K]+ 271.065498 152.9
[M+H-H2O]+ 215.099600 132.2
[M+HCOO]- 277.100541 159.0
[M+CH3COO]- 291.116191 200.1
[M+Na-2H]- 253.077006 147.3
[M]+ 232.10179142 138.2
[M]- 232.10288858 138.2
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