CID 43559206

2225141-31-9

Structural Information

Molecular Formula
C10H11N3O
SMILES
CC1=NC(=NO1)C(C2=CC=CC=C2)N
InChI
InChI=1S/C10H11N3O/c1-7-12-10(13-14-7)9(11)8-5-3-2-4-6-8/h2-6,9H,11H2,1H3
InChIKey
OJIBNRAWDRZTNF-UHFFFAOYSA-N
Compound name
(5-methyl-1,2,4-oxadiazol-3-yl)-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.09021 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 140.0
[M+Na]+ 212.07943 148.2
[M-H]- 188.08293 144.7
[M+NH4]+ 207.12403 156.7
[M+K]+ 228.05337 146.6
[M+H-H2O]+ 172.08747 131.8
[M+HCOO]- 234.08841 162.6
[M+CH3COO]- 248.10406 153.2
[M+Na-2H]- 210.06488 145.8
[M]+ 189.08966 139.6
[M]- 189.09076 139.6
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

No patent data available for this compound.