CID 155859069

2580097-80-7

Structural Information

Molecular Formula
C15H26N2O6
SMILES
CC(C)(C)OC(=O)[C@@H]1CN(C[C@@H](N1)C(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H26N2O6/c1-14(2,3)22-12(20)10-8-17(7-9(16-10)11(18)19)13(21)23-15(4,5)6/h9-10,16H,7-8H2,1-6H3,(H,18,19)/t9-,10+/m1/s1
InChIKey
XWIBOMZNDYCYCE-ZJUUUORDSA-N
Compound name
(2R,6S)-4,6-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.17908 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.186356 175.9
[M+Na]+ 353.168298 179.4
[M-H]- 329.171804 173.4
[M+NH4]+ 348.212903 185.9
[M+K]+ 369.142238 179.3
[M+H-H2O]+ 313.176340 170.0
[M+HCOO]- 375.177281 184.4
[M+CH3COO]- 389.192931 203.6
[M+Na-2H]- 351.153746 175.4
[M]+ 330.17853142 175.3
[M]- 330.17962858 175.3
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

No patent data available for this compound.