CID 165905641

2-(4-nitrosopiperazin-1-yl)acetic acid

Structural Information

Molecular Formula
C6H11N3O3
SMILES
C1CN(CCN1CC(=O)O)N=O
InChI
InChI=1S/C6H11N3O3/c10-6(11)5-8-1-3-9(7-12)4-2-8/h1-5H2,(H,10,11)
InChIKey
IBEJGJNLGWLSHJ-UHFFFAOYSA-N
Compound name
2-(4-nitrosopiperazin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.08005 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.087326 134.9
[M+Na]+ 196.069268 140.7
[M-H]- 172.072774 135.3
[M+NH4]+ 191.113873 151.8
[M+K]+ 212.043208 140.8
[M+H-H2O]+ 156.077310 127.4
[M+HCOO]- 218.078251 154.6
[M+CH3COO]- 232.093901 180.1
[M+Na-2H]- 194.054716 140.3
[M]+ 173.07950142 132.4
[M]- 173.08059858 132.4
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

No patent data available for this compound.