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]+ 331.18636 175.9
[M+Na]+ 353.16830 179.4
[M-H]- 329.17180 173.4
[M+NH4]+ 348.21290 185.9
[M+K]+ 369.14224 179.3
[M+H-H2O]+ 313.17634 170.0
[M+HCOO]- 375.17728 184.4
[M+CH3COO]- 389.19293 203.6
[M+Na-2H]- 351.15375 175.4
[M]+ 330.17853 175.3
[M]- 330.17963 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.