CID 23462198

3914-46-3

Structural Information

Molecular Formula
C6H9ClN2O
SMILES
CC(C)C1=NN=C(O1)CCl
InChI
InChI=1S/C6H9ClN2O/c1-4(2)6-9-8-5(3-7)10-6/h4H,3H2,1-2H3
InChIKey
UCGJAQHFSXERIT-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-propan-2-yl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

160.04034 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.047616 130.4
[M+Na]+ 183.029558 140.4
[M-H]- 159.033064 132.1
[M+NH4]+ 178.074163 150.1
[M+K]+ 199.003498 139.2
[M+H-H2O]+ 143.037600 124.3
[M+HCOO]- 205.038541 147.5
[M+CH3COO]- 219.054191 175.6
[M+Na-2H]- 181.015006 136.0
[M]+ 160.03979142 134.3
[M]- 160.04088858 134.3
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