CID 67615820

2-iodo-5-methyl-1,3,4-oxadiazole

Structural Information

Molecular Formula
C3H3IN2O
SMILES
CC1=NN=C(O1)I
InChI
InChI=1S/C3H3IN2O/c1-2-5-6-3(4)7-2/h1H3
InChIKey
SXCDKPPGNAWNOW-UHFFFAOYSA-N
Compound name
2-iodo-5-methyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

209.92902 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.93630 120.4
[M+Na]+ 232.91824 124.0
[M-H]- 208.92174 115.8
[M+NH4]+ 227.96284 136.7
[M+K]+ 248.89218 130.5
[M+H-H2O]+ 192.92628 110.9
[M+HCOO]- 254.92722 139.1
[M+CH3COO]- 268.94287 174.1
[M+Na-2H]- 230.90369 117.1
[M]+ 209.92847 119.8
[M]- 209.92957 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