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

21
Patents

221.92902 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.936296 123.8
[M+Na]+ 244.918238 126.8
[M-H]- 220.921744 117.1
[M+NH4]+ 239.962843 138.3
[M+K]+ 260.892178 130.4
[M+H-H2O]+ 204.926280 114.1
[M+HCOO]- 266.927221 141.1
[M+CH3COO]- 280.942871 173.6
[M+Na-2H]- 242.903686 121.1
[M]+ 221.92847142 119.8
[M]- 221.92956858 119.8
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