CID 151560737

4-nitrosopiperazine-1-carbaldehyde

Structural Information

Molecular Formula
C5H9N3O2
SMILES
C1CN(CCN1C=O)N=O
InChI
InChI=1S/C5H9N3O2/c9-5-7-1-3-8(6-10)4-2-7/h5H,1-4H2
InChIKey
QCKBEGKGQLANEY-UHFFFAOYSA-N
Compound name
4-nitrosopiperazine-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

143.06947 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.076746 126.9
[M+Na]+ 166.058688 133.9
[M-H]- 142.062194 128.7
[M+NH4]+ 161.103293 145.8
[M+K]+ 182.032628 134.1
[M+H-H2O]+ 126.066730 119.4
[M+HCOO]- 188.067671 149.1
[M+CH3COO]- 202.083321 176.6
[M+Na-2H]- 164.044136 134.4
[M]+ 143.06892142 125.1
[M]- 143.07001858 125.1
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