CID 56698916

1033245-12-3

Structural Information

Molecular Formula
C10H19FN2O2
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1CN)F
InChI
InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-6-7(11)4-8(13)5-12/h7-8H,4-6,12H2,1-3H3/t7-,8-/m0/s1
InChIKey
DADYKTRZKFJROI-YUMQZZPRSA-N
Compound name
tert-butyl (2S,4S)-2-(aminomethyl)-4-fluoropyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

218.14305 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.15033 150.7
[M+Na]+ 241.13227 157.1
[M-H]- 217.13577 151.1
[M+NH4]+ 236.17687 169.6
[M+K]+ 257.10621 156.1
[M+H-H2O]+ 201.14031 144.1
[M+HCOO]- 263.14125 168.9
[M+CH3COO]- 277.15690 189.4
[M+Na-2H]- 239.11772 151.1
[M]+ 218.14250 147.9
[M]- 218.14360 147.9
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