CID 69844519

363192-86-3

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CC(C)(C)OC(=O)N1CCN(C[C@H]1C(=O)O)C
InChI
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-6-5-12(4)7-8(13)9(14)15/h8H,5-7H2,1-4H3,(H,14,15)/t8-/m0/s1
InChIKey
DEVGLXXPCHEYGJ-QMMMGPOBSA-N
Compound name
(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

244.1423 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.149576 156.4
[M+Na]+ 267.131518 161.9
[M-H]- 243.135024 155.6
[M+NH4]+ 262.176123 170.7
[M+K]+ 283.105458 161.5
[M+H-H2O]+ 227.139560 150.1
[M+HCOO]- 289.140501 169.6
[M+CH3COO]- 303.156151 190.3
[M+Na-2H]- 265.116966 157.5
[M]+ 244.14175142 155.2
[M]- 244.14284858 155.2
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