CID 89498887

3-iodopyrazin-2-ol

Structural Information

Molecular Formula
C4H3IN2O
SMILES
C1=CN=C(C(=O)N1)I
InChI
InChI=1S/C4H3IN2O/c5-3-4(8)7-2-1-6-3/h1-2H,(H,7,8)
InChIKey
QPFQIDREVIRSRP-UHFFFAOYSA-N
Compound name
3-iodo-1H-pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

221.92902 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.93630 125.7
[M+Na]+ 244.91824 131.5
[M+NH4]+ 239.96284 129.2
[M+K]+ 260.89218 129.3
[M-H]- 220.92174 119.9
[M+Na-2H]- 242.90369 120.4
[M]+ 221.92847 123.7
[M]- 221.92957 123.7
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