CID 58355788

Tert-butyl 4-((chlorocarbonyl)oxy)piperidine-1-carboxylate

Structural Information

Molecular Formula
C11H18ClNO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)OC(=O)Cl
InChI
InChI=1S/C11H18ClNO4/c1-11(2,3)17-10(15)13-6-4-8(5-7-13)16-9(12)14/h8H,4-7H2,1-3H3
InChIKey
NMNJLDZQSSJHMI-UHFFFAOYSA-N
Compound name
tert-butyl 4-carbonochloridoyloxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

263.09244 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.09972 156.6
[M+Na]+ 286.08166 162.4
[M-H]- 262.08516 158.2
[M+NH4]+ 281.12626 172.9
[M+K]+ 302.05560 161.1
[M+H-H2O]+ 246.08970 151.3
[M+HCOO]- 308.09064 168.2
[M+CH3COO]- 322.10629 191.8
[M+Na-2H]- 284.06711 158.6
[M]+ 263.09189 158.3
[M]- 263.09299 158.3
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

patents stripe