CID 3157178

Tert-butyl 3-oxopiperazine-1-carboxylate

Structural Information

Molecular Formula
C9H16N2O3
SMILES
CC(C)(C)OC(=O)N1CCNC(=O)C1
InChI
InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-4-10-7(12)6-11/h4-6H2,1-3H3,(H,10,12)
InChIKey
FCMLWBBLOASUSO-UHFFFAOYSA-N
Compound name
tert-butyl 3-oxopiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2613
Patents

200.11609 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.12337 146.3
[M+Na]+ 223.10531 152.0
[M-H]- 199.10881 145.3
[M+NH4]+ 218.14991 162.2
[M+K]+ 239.07925 151.0
[M+H-H2O]+ 183.11335 139.9
[M+HCOO]- 245.11429 160.9
[M+CH3COO]- 259.12994 179.9
[M+Na-2H]- 221.09076 150.0
[M]+ 200.11554 143.0
[M]- 200.11664 143.0
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