CID 130003265

1822579-90-7

Structural Information

Molecular Formula
C11H18N2O5
SMILES
CC(C)(C)OC(=O)N1CC(=O)N(CC1C(=O)O)C
InChI
InChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)13-6-8(14)12(4)5-7(13)9(15)16/h7H,5-6H2,1-4H3,(H,15,16)
InChIKey
JCWVJGRONWQGDE-UHFFFAOYSA-N
Compound name
4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

258.12158 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12886 156.5
[M+Na]+ 281.11080 163.1
[M-H]- 257.11430 156.1
[M+NH4]+ 276.15540 170.4
[M+K]+ 297.08474 162.7
[M+H-H2O]+ 241.11884 150.4
[M+HCOO]- 303.11978 170.2
[M+CH3COO]- 317.13543 193.0
[M+Na-2H]- 279.09625 157.3
[M]+ 258.12103 156.5
[M]- 258.12213 156.5
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