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 134.9
[M+Na]+ 196.06927 140.7
[M-H]- 172.07277 135.3
[M+NH4]+ 191.11387 151.8
[M+K]+ 212.04321 140.8
[M+H-H2O]+ 156.07731 127.4
[M+HCOO]- 218.07825 154.6
[M+CH3COO]- 232.09390 180.1
[M+Na-2H]- 194.05472 140.3
[M]+ 173.07950 132.4
[M]- 173.08060 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.