CID 23008087

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

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CC(C1=NC(=NO1)C2=CC(=CC=C2)OC)N
InChI
InChI=1S/C11H13N3O2/c1-7(12)11-13-10(14-16-11)8-4-3-5-9(6-8)15-2/h3-7H,12H2,1-2H3
InChIKey
GPXWGDSAEYYRAQ-UHFFFAOYSA-N
Compound name
1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

219.10077 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 147.8
[M+Na]+ 242.08999 156.4
[M-H]- 218.09349 152.8
[M+NH4]+ 237.13459 163.6
[M+K]+ 258.06393 155.1
[M+H-H2O]+ 202.09803 139.5
[M+HCOO]- 264.09897 170.3
[M+CH3COO]- 278.11462 189.7
[M+Na-2H]- 240.07544 152.4
[M]+ 219.10022 149.6
[M]- 219.10132 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