CID 6484110

1185301-35-2

Structural Information

Molecular Formula
C10H11N3O
SMILES
C1=CC=C(C=C1)CC2=NOC(=N2)CN
InChI
InChI=1S/C10H11N3O/c11-7-10-12-9(13-14-10)6-8-4-2-1-3-5-8/h1-5H,6-7,11H2
InChIKey
GQASRVLTKCPNCP-UHFFFAOYSA-N
Compound name
(3-benzyl-1,2,4-oxadiazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

189.09021 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 140.0
[M+Na]+ 212.07943 153.0
[M+NH4]+ 207.12403 148.0
[M+K]+ 228.05337 148.7
[M-H]- 188.08293 144.5
[M+Na-2H]- 210.06488 148.0
[M]+ 189.08966 143.0
[M]- 189.09076 143.0
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.