CID 2726694

5-methyl-n-(pyridin-3-ylmethyl)isoxazol-3-amine

Structural Information

Molecular Formula
C10H11N3O
SMILES
CC1=CC(=NO1)NCC2=CN=CC=C2
InChI
InChI=1S/C10H11N3O/c1-8-5-10(13-14-8)12-7-9-3-2-4-11-6-9/h2-6H,7H2,1H3,(H,12,13)
InChIKey
YCTIWOKDBYCFJC-UHFFFAOYSA-N
Compound name
5-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

189.09021 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.097486 138.8
[M+Na]+ 212.079428 147.3
[M-H]- 188.082934 143.8
[M+NH4]+ 207.124033 155.9
[M+K]+ 228.053368 145.6
[M+H-H2O]+ 172.087470 130.5
[M+HCOO]- 234.088411 163.0
[M+CH3COO]- 248.104061 152.4
[M+Na-2H]- 210.064876 146.9
[M]+ 189.08966142 140.0
[M]- 189.09075858 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

literature stripe

Patent stripe

No patent data available for this compound.