CID 17750439

(2s)-2-isopropylpiperazine, n1-boc protected

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CC(C)[C@H]1CNCCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C12H24N2O2/c1-9(2)10-8-13-6-7-14(10)11(15)16-12(3,4)5/h9-10,13H,6-8H2,1-5H3/t10-/m1/s1
InChIKey
NZTWGWFHWJARJX-SNVBAGLBSA-N
Compound name
tert-butyl (2S)-2-propan-2-ylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

228.18378 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 157.7
[M+Na]+ 251.17300 161.7
[M-H]- 227.17650 156.3
[M+NH4]+ 246.21760 172.6
[M+K]+ 267.14694 160.6
[M+H-H2O]+ 211.18104 151.0
[M+HCOO]- 273.18198 169.9
[M+CH3COO]- 287.19763 188.6
[M+Na-2H]- 249.15845 158.6
[M]+ 228.18323 154.2
[M]- 228.18433 154.2
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