CID 67045962

1189435-14-0

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CC1(CN(CCN1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C11H20N2O4/c1-10(2,3)17-9(16)13-6-5-12-11(4,7-13)8(14)15/h12H,5-7H2,1-4H3,(H,14,15)
InChIKey
DKNNPBSTUKJQAG-UHFFFAOYSA-N
Compound name
2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

244.1423 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.149576 156.9
[M+Na]+ 267.131518 161.9
[M-H]- 243.135024 154.5
[M+NH4]+ 262.176123 172.2
[M+K]+ 283.105458 161.1
[M+H-H2O]+ 227.139560 151.6
[M+HCOO]- 289.140501 168.6
[M+CH3COO]- 303.156151 186.1
[M+Na-2H]- 265.116966 159.6
[M]+ 244.14175142 153.8
[M]- 244.14284858 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