CID 97294912

Methanesulfonic acid; tert-butyl (4r)-4-amino-3,3-difluoropyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C9H16F2N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@H](C(C1)(F)F)N
InChI
InChI=1S/C9H16F2N2O2/c1-8(2,3)15-7(14)13-4-6(12)9(10,11)5-13/h6H,4-5,12H2,1-3H3/t6-/m1/s1
InChIKey
DODJSPBKCAGGTQ-ZCFIWIBFSA-N
Compound name
tert-butyl (4R)-4-amino-3,3-difluoropyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11798 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12526 146.5
[M+Na]+ 245.10720 154.3
[M-H]- 221.11070 145.9
[M+NH4]+ 240.15180 167.2
[M+K]+ 261.08114 153.3
[M+H-H2O]+ 205.11524 140.3
[M+HCOO]- 267.11618 164.0
[M+CH3COO]- 281.13183 188.6
[M+Na-2H]- 243.09265 148.4
[M]+ 222.11743 142.5
[M]- 222.11853 142.5
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.