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]+ 204.05344 142.5
[M+Na]+ 226.03538 151.1
[M-H]- 202.03888 144.3
[M+NH4]+ 221.07998 159.9
[M+K]+ 242.00932 149.9
[M+H-H2O]+ 186.04342 135.7
[M+HCOO]- 248.04436 159.8
[M+CH3COO]- 262.06001 184.7
[M+Na-2H]- 224.02083 146.7
[M]+ 203.04561 146.1
[M]- 203.04671 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.