CID 72766

Pyrazine diazohydroxide

Structural Information

Molecular Formula
C4H4N4O
SMILES
C1=CN=C(C=N1)NN=O
InChI
InChI=1S/C4H4N4O/c9-8-7-4-3-5-1-2-6-4/h1-3H,(H,6,7,9)
InChIKey
AUWFXUHWMBMPTI-UHFFFAOYSA-N
Compound name
N-pyrazin-2-ylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

185
Patents

124.03851 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.04579 118.8
[M+Na]+ 147.02773 127.3
[M-H]- 123.03123 121.5
[M+NH4]+ 142.07233 138.2
[M+K]+ 163.00167 127.0
[M+H-H2O]+ 107.03577 111.0
[M+HCOO]- 169.03671 146.4
[M+CH3COO]- 183.05236 175.1
[M+Na-2H]- 145.01318 131.1
[M]+ 124.03796 119.0
[M]- 124.03906 119.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe