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

10
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 145.0
[M+Na]+ 255.09156 154.9
[M-H]- 231.09506 144.8
[M+NH4]+ 250.13616 163.6
[M+K]+ 271.06550 152.9
[M+H-H2O]+ 215.09960 132.2
[M+HCOO]- 277.10054 159.0
[M+CH3COO]- 291.11619 200.1
[M+Na-2H]- 253.07701 147.3
[M]+ 232.10179 138.2
[M]- 232.10289 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