CID 117929437

Tert-butyl (2s)-4,4-difluoropyrrolidine-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H15F2NO2
SMILES
CC(C)(C)OC(=O)[C@@H]1CC(CN1)(F)F
InChI
InChI=1S/C9H15F2NO2/c1-8(2,3)14-7(13)6-4-9(10,11)5-12-6/h6,12H,4-5H2,1-3H3/t6-/m0/s1
InChIKey
ORKRSLURHDAZKN-LURJTMIESA-N
Compound name
tert-butyl (2S)-4,4-difluoropyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

207.10709 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11437 143.8
[M+Na]+ 230.09631 151.1
[M-H]- 206.09981 142.0
[M+NH4]+ 225.14091 164.6
[M+K]+ 246.07025 149.6
[M+H-H2O]+ 190.10435 137.9
[M+HCOO]- 252.10529 159.3
[M+CH3COO]- 266.12094 181.3
[M+Na-2H]- 228.08176 146.4
[M]+ 207.10654 139.3
[M]- 207.10764 139.3
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