CID 23511694

Tert-butyl 4,4-difluoro-2-formylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C10H15F2NO3
SMILES
CC(C)(C)OC(=O)N1CC(CC1C=O)(F)F
InChI
InChI=1S/C10H15F2NO3/c1-9(2,3)16-8(15)13-6-10(11,12)4-7(13)5-14/h5,7H,4,6H2,1-3H3
InChIKey
AOVSULZRHILJIN-UHFFFAOYSA-N
Compound name
tert-butyl 4,4-difluoro-2-formylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

235.102 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10928 147.8
[M+Na]+ 258.09122 156.4
[M-H]- 234.09472 147.7
[M+NH4]+ 253.13582 168.5
[M+K]+ 274.06516 155.5
[M+H-H2O]+ 218.09926 142.0
[M+HCOO]- 280.10020 165.0
[M+CH3COO]- 294.11585 188.5
[M+Na-2H]- 256.07667 150.1
[M]+ 235.10145 146.8
[M]- 235.10255 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