CID 18009261

5819-39-6

Structural Information

Molecular Formula
C4H5ClN2O
SMILES
CC1=C(C(=NO1)N)Cl
InChI
InChI=1S/C4H5ClN2O/c1-2-3(5)4(6)7-8-2/h1H3,(H2,6,7)
InChIKey
DWVOVXRNQIXUEE-UHFFFAOYSA-N
Compound name
4-chloro-5-methyl-1,2-oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

132.00903 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.01631 122.1
[M+Na]+ 154.99825 133.2
[M-H]- 131.00175 125.3
[M+NH4]+ 150.04285 144.0
[M+K]+ 170.97219 131.6
[M+H-H2O]+ 115.00629 117.2
[M+HCOO]- 177.00723 142.6
[M+CH3COO]- 191.02288 171.1
[M+Na-2H]- 152.98370 128.7
[M]+ 132.00848 124.0
[M]- 132.00958 124.0
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