CID 15582244

4-methyl-3-oxopiperazine-1-carbonyl chloride

Structural Information

Molecular Formula
C6H9ClN2O2
SMILES
CN1CCN(CC1=O)C(=O)Cl
InChI
InChI=1S/C6H9ClN2O2/c1-8-2-3-9(6(7)11)4-5(8)10/h2-4H2,1H3
InChIKey
POYMRPHGMPACFZ-UHFFFAOYSA-N
Compound name
4-methyl-3-oxopiperazine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

176.03525 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.04253 133.2
[M+Na]+ 199.02447 141.7
[M-H]- 175.02797 133.9
[M+NH4]+ 194.06907 151.7
[M+K]+ 214.99841 139.5
[M+H-H2O]+ 159.03251 127.3
[M+HCOO]- 221.03345 147.0
[M+CH3COO]- 235.04910 177.4
[M+Na-2H]- 197.00992 137.0
[M]+ 176.03470 132.1
[M]- 176.03580 132.1
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