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]+ 224.05852 147.2
[M+Na]+ 246.04046 157.2
[M-H]- 222.04396 151.7
[M+NH4]+ 241.08506 163.7
[M+K]+ 262.01440 153.3
[M+H-H2O]+ 206.04850 139.3
[M+HCOO]- 268.04944 165.9
[M+CH3COO]- 282.06509 160.2
[M+Na-2H]- 244.02591 152.7
[M]+ 223.05069 149.6
[M]- 223.05179 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