CID 83854261

1194375-80-8

Structural Information

Molecular Formula
C11H21FN2O2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(CN)CF
InChI
InChI=1S/C11H21FN2O2/c1-10(2,3)16-9(15)14-5-4-11(6-12,7-13)8-14/h4-8,13H2,1-3H3
InChIKey
ODQPLGBUTNTIAZ-UHFFFAOYSA-N
Compound name
tert-butyl 3-(aminomethyl)-3-(fluoromethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.1587 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16598 154.0
[M+Na]+ 255.14792 159.9
[M-H]- 231.15142 154.1
[M+NH4]+ 250.19252 174.1
[M+K]+ 271.12186 158.9
[M+H-H2O]+ 215.15596 148.0
[M+HCOO]- 277.15690 171.9
[M+CH3COO]- 291.17255 190.7
[M+Na-2H]- 253.13337 156.0
[M]+ 232.15815 151.5
[M]- 232.15925 151.5
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.