CID 28805537

2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H10ClN3O
SMILES
C1=CC(=CC(=C1)Cl)C2=NOC(=N2)CCN
InChI
InChI=1S/C10H10ClN3O/c11-8-3-1-2-7(6-8)10-13-9(4-5-12)15-14-10/h1-3,6H,4-5,12H2
InChIKey
CDOGBSWHYDXOBD-UHFFFAOYSA-N
Compound name
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

223.05124 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.058516 147.2
[M+Na]+ 246.040458 157.2
[M-H]- 222.043964 151.7
[M+NH4]+ 241.085063 163.7
[M+K]+ 262.014398 153.3
[M+H-H2O]+ 206.048500 139.3
[M+HCOO]- 268.049441 165.9
[M+CH3COO]- 282.065091 160.2
[M+Na-2H]- 244.025906 152.7
[M]+ 223.05069142 149.6
[M]- 223.05178858 149.6
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