CID 1501850

848482-93-9

Structural Information

Molecular Formula
C10H18N2O4
SMILES
CC(C)(C)OC(=O)N1CCN[C@@H](C1)C(=O)O
InChI
InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-5-4-11-7(6-12)8(13)14/h7,11H,4-6H2,1-3H3,(H,13,14)/t7-/m0/s1
InChIKey
YRYAXQJXMBETAT-ZETCQYMHSA-N
Compound name
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

554
Patents

230.12666 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13394 152.5
[M+Na]+ 253.11588 159.4
[M+NH4]+ 248.16048 156.6
[M+K]+ 269.08982 158.0
[M-H]- 229.11938 148.9
[M+Na-2H]- 251.10133 153.1
[M]+ 230.12611 151.8
[M]- 230.12721 151.8
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