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]+ 190.097486 140.0
[M+Na]+ 212.079428 148.2
[M-H]- 188.082934 144.7
[M+NH4]+ 207.124033 156.7
[M+K]+ 228.053368 146.6
[M+H-H2O]+ 172.087470 131.8
[M+HCOO]- 234.088411 162.6
[M+CH3COO]- 248.104061 153.2
[M+Na-2H]- 210.064876 145.8
[M]+ 189.08966142 139.6
[M]- 189.09075858 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.