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]+ 144.07675 126.9
[M+Na]+ 166.05869 133.9
[M-H]- 142.06219 128.7
[M+NH4]+ 161.10329 145.8
[M+K]+ 182.03263 134.1
[M+H-H2O]+ 126.06673 119.4
[M+HCOO]- 188.06767 149.1
[M+CH3COO]- 202.08332 176.6
[M+Na-2H]- 164.04414 134.4
[M]+ 143.06892 125.1
[M]- 143.07002 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