CID 12774825

5-(chloromethyl)-3-methyl-1,2,4-oxadiazole

Structural Information

Molecular Formula
C4H5ClN2O
SMILES
CC1=NOC(=N1)CCl
InChI
InChI=1S/C4H5ClN2O/c1-3-6-4(2-5)8-7-3/h2H2,1H3
InChIKey
FYDQQEVRVKAASZ-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-methyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

449
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 120.7
[M+Na]+ 154.99825 131.8
[M-H]- 131.00175 122.5
[M+NH4]+ 150.04285 141.5
[M+K]+ 170.97219 130.8
[M+H-H2O]+ 115.00629 114.8
[M+HCOO]- 177.00723 139.4
[M+CH3COO]- 191.02288 168.7
[M+Na-2H]- 152.98370 128.6
[M]+ 132.00848 124.4
[M]- 132.00958 124.4
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