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

6
Patents

232.10234 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10962 150.0
[M+Na]+ 255.09156 157.3
[M+NH4]+ 250.13616 152.9
[M+K]+ 271.06550 150.3
[M-H]- 231.09506 138.8
[M+Na-2H]- 253.07701 150.2
[M]+ 232.10179 146.8
[M]- 232.10289 146.8
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