CID 77655433

2167374-58-3

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CC1(CNCCN1C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C11H20N2O4/c1-10(2,3)17-9(16)13-6-5-12-7-11(13,4)8(14)15/h12H,5-7H2,1-4H3,(H,14,15)
InChIKey
DRLINDRBXFCYMP-UHFFFAOYSA-N
Compound name
2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

244.1423 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.14958 156.9
[M+Na]+ 267.13152 161.9
[M-H]- 243.13502 154.5
[M+NH4]+ 262.17612 172.2
[M+K]+ 283.10546 161.1
[M+H-H2O]+ 227.13956 151.6
[M+HCOO]- 289.14050 168.6
[M+CH3COO]- 303.15615 186.1
[M+Na-2H]- 265.11697 159.6
[M]+ 244.14175 153.8
[M]- 244.14285 153.8
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