CID 1501850

(s)-4-n-boc-piperazine-2-carboxylic acid

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

569
Patents

230.12666 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.133936 153.5
[M+Na]+ 253.115878 158.0
[M-H]- 229.119384 151.0
[M+NH4]+ 248.160483 167.3
[M+K]+ 269.089818 157.0
[M+H-H2O]+ 213.123920 147.2
[M+HCOO]- 275.124861 165.5
[M+CH3COO]- 289.140511 183.6
[M+Na-2H]- 251.101326 155.2
[M]+ 230.12611142 149.6
[M]- 230.12720858 149.6
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