CID 84107661

1-methyl-5-oxopiperazine-2-carboxylic acid

Structural Information

Molecular Formula
C6H10N2O3
SMILES
CN1CC(=O)NCC1C(=O)O
InChI
InChI=1S/C6H10N2O3/c1-8-3-5(9)7-2-4(8)6(10)11/h4H,2-3H2,1H3,(H,7,9)(H,10,11)
InChIKey
VFSWRDNUCRJKEH-UHFFFAOYSA-N
Compound name
1-methyl-5-oxopiperazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

158.06914 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.07642 133.3
[M+Na]+ 181.05836 142.6
[M+NH4]+ 176.10296 139.0
[M+K]+ 197.03230 139.5
[M-H]- 157.06186 131.3
[M+Na-2H]- 179.04381 135.4
[M]+ 158.06859 133.5
[M]- 158.06969 133.5
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