CID 56828244

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline

Structural Information

Molecular Formula
C10H11N3O
SMILES
CC1=NOC(=N1)CNC2=CC=CC=C2
InChI
InChI=1S/C10H11N3O/c1-8-12-10(14-13-8)7-11-9-5-3-2-4-6-9/h2-6,11H,7H2,1H3
InChIKey
NQXYKXATJBOGTM-UHFFFAOYSA-N
Compound name
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.09021 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 138.8
[M+Na]+ 212.07943 147.3
[M-H]- 188.08293 143.8
[M+NH4]+ 207.12403 155.9
[M+K]+ 228.05337 145.6
[M+H-H2O]+ 172.08747 130.5
[M+HCOO]- 234.08841 163.0
[M+CH3COO]- 248.10406 152.4
[M+Na-2H]- 210.06488 146.9
[M]+ 189.08966 140.0
[M]- 189.09076 140.0
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.