CID 72208166

1407991-24-5

Structural Information

Molecular Formula
C10H18F2N2O2
SMILES
CC(C)(C)OC(=O)N1CC(C[C@@H]1CN)(F)F
InChI
InChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)14-6-10(11,12)4-7(14)5-13/h7H,4-6,13H2,1-3H3/t7-/m1/s1
InChIKey
MHRFRDWLNRHXMY-SSDOTTSWSA-N
Compound name
tert-butyl (2R)-2-(aminomethyl)-4,4-difluoropyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

236.13364 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14092 151.1
[M+Na]+ 259.12286 158.4
[M-H]- 235.12636 150.3
[M+NH4]+ 254.16746 171.2
[M+K]+ 275.09680 157.2
[M+H-H2O]+ 219.13090 144.7
[M+HCOO]- 281.13184 168.2
[M+CH3COO]- 295.14749 191.7
[M+Na-2H]- 257.10831 152.5
[M]+ 236.13309 147.4
[M]- 236.13419 147.4
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