CID 22106269

Tert-butyl 4-(2-chloroethyl)piperazinecarboxylate

Structural Information

Molecular Formula
C11H21ClN2O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CCCl
InChI
InChI=1S/C11H21ClN2O2/c1-11(2,3)16-10(15)14-8-6-13(5-4-12)7-9-14/h4-9H2,1-3H3
InChIKey
MYOWELLYEZMECA-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-chloroethyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

403
Patents

248.12915 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.13643 158.3
[M+Na]+ 271.11837 164.1
[M-H]- 247.12187 158.2
[M+NH4]+ 266.16297 174.0
[M+K]+ 287.09231 161.6
[M+H-H2O]+ 231.12641 151.7
[M+HCOO]- 293.12735 168.7
[M+CH3COO]- 307.14300 191.1
[M+Na-2H]- 269.10382 160.9
[M]+ 248.12860 158.7
[M]- 248.12970 158.7
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