CID 66568124

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

Structural Information

Molecular Formula
C12H21ClN2O3
SMILES
CC1CN(CCN1C(=O)OC(C)(C)C)C(=O)CCl
InChI
InChI=1S/C12H21ClN2O3/c1-9-8-14(10(16)7-13)5-6-15(9)11(17)18-12(2,3)4/h9H,5-8H2,1-4H3
InChIKey
YKXABQJNCSOJOE-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-chloroacetyl)-2-methylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.12408 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13136 162.5
[M+Na]+ 299.11330 168.9
[M-H]- 275.11680 162.9
[M+NH4]+ 294.15790 177.3
[M+K]+ 315.08724 166.7
[M+H-H2O]+ 259.12134 156.4
[M+HCOO]- 321.12228 172.2
[M+CH3COO]- 335.13793 196.7
[M+Na-2H]- 297.09875 163.2
[M]+ 276.12353 163.9
[M]- 276.12463 163.9
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.