CID 39869546

2-chloro-n-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide

Structural Information

Molecular Formula
C7H10ClN3O2
SMILES
CC(C)C1=NN=C(O1)NC(=O)CCl
InChI
InChI=1S/C7H10ClN3O2/c1-4(2)6-10-11-7(13-6)9-5(12)3-8/h4H,3H2,1-2H3,(H,9,11,12)
InChIKey
LPAIUCJKHQQTCI-UHFFFAOYSA-N
Compound name
2-chloro-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.04616 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.053436 142.5
[M+Na]+ 226.035378 151.1
[M-H]- 202.038884 144.3
[M+NH4]+ 221.079983 159.9
[M+K]+ 242.009318 149.9
[M+H-H2O]+ 186.043420 135.7
[M+HCOO]- 248.044361 159.8
[M+CH3COO]- 262.060011 184.7
[M+Na-2H]- 224.020826 146.7
[M]+ 203.04561142 146.1
[M]- 203.04670858 146.1
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.