CID 121604978

1987412-64-5

Structural Information

Molecular Formula
C10H17F2NO2
SMILES
CC(C)(C)OC(=O)[C@@H]1CNC[C@H]1C(F)F
InChI
InChI=1S/C10H17F2NO2/c1-10(2,3)15-9(14)7-5-13-4-6(7)8(11)12/h6-8,13H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKey
NELXAXGZHDIZMC-RNFRBKRXSA-N
Compound name
tert-butyl (3S,4S)-4-(difluoromethyl)pyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.12274 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.13002 149.6
[M+Na]+ 244.11196 155.3
[M-H]- 220.11546 147.4
[M+NH4]+ 239.15656 167.8
[M+K]+ 260.08590 153.9
[M+H-H2O]+ 204.12000 142.6
[M+HCOO]- 266.12094 163.8
[M+CH3COO]- 280.13659 185.6
[M+Na-2H]- 242.09741 149.1
[M]+ 221.12219 144.6
[M]- 221.12329 144.6
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.