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]+ 174.08733 136.0
[M+Na]+ 196.06927 144.7
[M+NH4]+ 191.11387 141.9
[M+K]+ 212.04321 141.2
[M-H]- 172.07277 135.2
[M+Na-2H]- 194.05472 139.3
[M]+ 173.07950 136.4
[M]- 173.08060 136.4
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.