CID 29942769

2751603-58-2

Structural Information

Molecular Formula
C16H28N2O6
SMILES
CC(C)(C)OC(=O)N1CCN([C@H](C1)CC(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H28N2O6/c1-15(2,3)23-13(21)17-7-8-18(11(10-17)9-12(19)20)14(22)24-16(4,5)6/h11H,7-10H2,1-6H3,(H,19,20)/t11-/m0/s1
InChIKey
NOSKITKFSSMMRP-NSHDSACASA-N
Compound name
2-[(2S)-1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

344.19473 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.20201 179.6
[M+Na]+ 367.18395 183.4
[M-H]- 343.18745 178.5
[M+NH4]+ 362.22855 190.0
[M+K]+ 383.15789 183.8
[M+H-H2O]+ 327.19199 173.5
[M+HCOO]- 389.19293 189.4
[M+CH3COO]- 403.20858 208.2
[M+Na-2H]- 365.16940 179.3
[M]+ 344.19418 181.3
[M]- 344.19528 181.3
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.