CID 11334154

Tert-butyl 4-(chlorocarbonyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C10H17ClN2O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)Cl
InChI
InChI=1S/C10H17ClN2O3/c1-10(2,3)16-9(15)13-6-4-12(5-7-13)8(11)14/h4-7H2,1-3H3
InChIKey
NCIQNWYJLAAFAH-UHFFFAOYSA-N
Compound name
tert-butyl 4-carbonochloridoylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

497
Patents

248.09277 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10005 154.0
[M+Na]+ 271.08199 160.3
[M-H]- 247.08549 154.4
[M+NH4]+ 266.12659 169.7
[M+K]+ 287.05593 158.6
[M+H-H2O]+ 231.09003 148.0
[M+HCOO]- 293.09097 164.4
[M+CH3COO]- 307.10662 189.5
[M+Na-2H]- 269.06744 156.4
[M]+ 248.09222 154.3
[M]- 248.09332 154.3
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