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

10
Patents

158.06914 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.076416 132.8
[M+Na]+ 181.058358 139.6
[M-H]- 157.061864 130.8
[M+NH4]+ 176.102963 149.6
[M+K]+ 197.032298 137.9
[M+H-H2O]+ 141.066400 126.6
[M+HCOO]- 203.067341 148.3
[M+CH3COO]- 217.082991 171.2
[M+Na-2H]- 179.043806 135.9
[M]+ 158.06859142 127.6
[M]- 158.06968858 127.6
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