CID 15829156

Tert-butyl 4-(2-chloroacetyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C11H19ClN2O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCl
InChI
InChI=1S/C11H19ClN2O3/c1-11(2,3)17-10(16)14-6-4-13(5-7-14)9(15)8-12/h4-8H2,1-3H3
InChIKey
PUGUQINMNYINPK-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-chloroacetyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14388
Patents

262.10843 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11571 158.6
[M+Na]+ 285.09765 164.5
[M-H]- 261.10115 158.8
[M+NH4]+ 280.14225 173.7
[M+K]+ 301.07159 162.5
[M+H-H2O]+ 245.10569 152.4
[M+HCOO]- 307.10663 168.7
[M+CH3COO]- 321.12228 192.5
[M+Na-2H]- 283.08310 160.4
[M]+ 262.10788 159.3
[M]- 262.10898 159.3
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