CID 42880368

865432-01-5

Structural Information

Molecular Formula
C12H21ClN2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)CCl
InChI
InChI=1S/C12H21ClN2O3/c1-12(2,3)18-11(17)15-6-4-9(5-7-15)14-10(16)8-13/h9H,4-8H2,1-3H3,(H,14,16)
InChIKey
ZOBCZJALTMZRTA-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(2-chloroacetyl)amino]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

276.12408 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13136 163.7
[M+Na]+ 299.11330 168.3
[M-H]- 275.11680 165.0
[M+NH4]+ 294.15790 179.2
[M+K]+ 315.08724 166.1
[M+H-H2O]+ 259.12134 157.9
[M+HCOO]- 321.12228 175.8
[M+CH3COO]- 335.13793 197.7
[M+Na-2H]- 297.09875 165.2
[M]+ 276.12353 163.5
[M]- 276.12463 163.5
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