CID 18617350

930-85-8

Structural Information

Molecular Formula
C4H5IN2O
SMILES
CC1=C(C(=NO1)N)I
InChI
InChI=1S/C4H5IN2O/c1-2-3(5)4(6)7-8-2/h1H3,(H2,6,7)
InChIKey
ABSKCUUMSKWKSW-UHFFFAOYSA-N
Compound name
4-iodo-5-methyl-1,2-oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

223.94466 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.95194 130.7
[M+Na]+ 246.93388 133.8
[M-H]- 222.93738 127.2
[M+NH4]+ 241.97848 147.4
[M+K]+ 262.90782 139.5
[M+H-H2O]+ 206.94192 121.6
[M+HCOO]- 268.94286 150.5
[M+CH3COO]- 282.95851 179.3
[M+Na-2H]- 244.91933 125.1
[M]+ 223.94411 128.5
[M]- 223.94521 128.5
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