CID 137951956

Tert-butyl 3-(2-amino-1-fluoroethylidene)azetidine-1-carboxylate

Structural Information

Molecular Formula
C10H17FN2O2
SMILES
CC(C)(C)OC(=O)N1CC(=C(CN)F)C1
InChI
InChI=1S/C10H17FN2O2/c1-10(2,3)15-9(14)13-5-7(6-13)8(11)4-12/h4-6,12H2,1-3H3
InChIKey
GEGSYXAYKDRQRW-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-amino-1-fluoroethylidene)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12741 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13469 154.5
[M+Na]+ 239.11663 158.7
[M-H]- 215.12013 154.5
[M+NH4]+ 234.16123 164.8
[M+K]+ 255.09057 160.8
[M+H-H2O]+ 199.12467 142.0
[M+HCOO]- 261.12561 170.4
[M+CH3COO]- 275.14126 192.5
[M+Na-2H]- 237.10208 154.7
[M]+ 216.12686 160.0
[M]- 216.12796 160.0
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.