CID 10822535

129779-30-2

Structural Information

Molecular Formula
C11H22N2O2
SMILES
C[C@@H]1CN(C[C@@H](N1)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H22N2O2/c1-8-6-13(7-9(2)12-8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3/t8-,9+
InChIKey
NUZXPHIQZUYMOR-DTORHVGOSA-N
Compound name
tert-butyl (3R,5S)-3,5-dimethylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

948
Patents

214.16812 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.175396 153.4
[M+Na]+ 237.157338 159.1
[M-H]- 213.160844 152.4
[M+NH4]+ 232.201943 169.3
[M+K]+ 253.131278 157.6
[M+H-H2O]+ 197.165380 147.1
[M+HCOO]- 259.166321 166.9
[M+CH3COO]- 273.181971 185.9
[M+Na-2H]- 235.142786 155.3
[M]+ 214.16757142 150.6
[M]- 214.16866858 150.6
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