CID 3157458

1185304-75-9

Structural Information

Molecular Formula
C10H11N3O
SMILES
C1=CC=C(C=C1)C2=NOC(=N2)CCN
InChI
InChI=1S/C10H11N3O/c11-7-6-9-12-10(13-14-9)8-4-2-1-3-5-8/h1-5H,6-7,11H2
InChIKey
FDRQQRWVLQQGBK-UHFFFAOYSA-N
Compound name
2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

24
Patents

189.09021 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.097486 139.1
[M+Na]+ 212.079428 147.6
[M-H]- 188.082934 143.7
[M+NH4]+ 207.124033 156.0
[M+K]+ 228.053368 145.6
[M+H-H2O]+ 172.087470 130.8
[M+HCOO]- 234.088411 162.8
[M+CH3COO]- 248.104061 152.4
[M+Na-2H]- 210.064876 146.2
[M]+ 189.08966142 139.4
[M]- 189.09075858 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe