CID 71250747

1374657-58-5

Structural Information

Molecular Formula
C9H17FN2O2
SMILES
CC(C)(C)OC(=O)NCC1(CNC1)F
InChI
InChI=1S/C9H17FN2O2/c1-8(2,3)14-7(13)12-6-9(10)4-11-5-9/h11H,4-6H2,1-3H3,(H,12,13)
InChIKey
BXKOGVNBUZVYTM-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

204.12741 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13469 150.8
[M+Na]+ 227.11663 154.9
[M-H]- 203.12013 150.0
[M+NH4]+ 222.16123 162.9
[M+K]+ 243.09057 156.9
[M+H-H2O]+ 187.12467 139.8
[M+HCOO]- 249.12561 167.0
[M+CH3COO]- 263.14126 186.8
[M+Na-2H]- 225.10208 155.2
[M]+ 204.12686 156.5
[M]- 204.12796 156.5
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

patents stripe