CID 75481046

5-(chloromethyl)-n,n-dimethyl-1,2,4-oxadiazol-3-amine

Structural Information

Molecular Formula
C5H8ClN3O
SMILES
CN(C)C1=NOC(=N1)CCl
InChI
InChI=1S/C5H8ClN3O/c1-9(2)5-7-4(3-6)10-8-5/h3H2,1-2H3
InChIKey
SOPQEQPJQATWPO-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.03558 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.04286 130.4
[M+Na]+ 184.02480 140.3
[M-H]- 160.02830 133.6
[M+NH4]+ 179.06940 150.4
[M+K]+ 199.99874 140.2
[M+H-H2O]+ 144.03284 123.7
[M+HCOO]- 206.03378 150.4
[M+CH3COO]- 220.04943 180.0
[M+Na-2H]- 182.01025 137.3
[M]+ 161.03503 135.1
[M]- 161.03613 135.1
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

No patent data available for this compound.