CID 167732990

Tert-butyl 4-fluoro-4-(isocyanatomethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H19FN2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CN=C=O)F
InChI
InChI=1S/C12H19FN2O3/c1-11(2,3)18-10(17)15-6-4-12(13,5-7-15)8-14-9-16/h4-8H2,1-3H3
InChIKey
SABXSXUGOLLRFW-UHFFFAOYSA-N
Compound name
tert-butyl 4-fluoro-4-(isocyanatomethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.13797 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14525 157.5
[M+Na]+ 281.12719 163.3
[M-H]- 257.13069 159.1
[M+NH4]+ 276.17179 175.5
[M+K]+ 297.10113 162.7
[M+H-H2O]+ 241.13523 150.7
[M+HCOO]- 303.13617 175.7
[M+CH3COO]- 317.15182 197.0
[M+Na-2H]- 279.11264 162.0
[M]+ 258.13742 156.3
[M]- 258.13852 156.3
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.