CID 19764160

5-(1-chloroethyl)-3-propyl-1,2,4-oxadiazole

Structural Information

Molecular Formula
C7H11ClN2O
SMILES
CCCC1=NOC(=N1)C(C)Cl
InChI
InChI=1S/C7H11ClN2O/c1-3-4-6-9-7(5(2)8)11-10-6/h5H,3-4H2,1-2H3
InChIKey
KZHHANWXUVKDMY-UHFFFAOYSA-N
Compound name
5-(1-chloroethyl)-3-propyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

174.05598 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.063256 135.2
[M+Na]+ 197.045198 144.7
[M-H]- 173.048704 136.7
[M+NH4]+ 192.089803 154.3
[M+K]+ 213.019138 143.3
[M+H-H2O]+ 157.053240 128.8
[M+HCOO]- 219.054181 152.0
[M+CH3COO]- 233.069831 178.6
[M+Na-2H]- 195.030646 140.2
[M]+ 174.05543142 139.4
[M]- 174.05652858 139.4
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