CID 28063759

Methyl({[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl})amine dihydrochloride

Structural Information

Molecular Formula
C9H10N4O
SMILES
CNCC1=NC(=NO1)C2=CN=CC=C2
InChI
InChI=1S/C9H10N4O/c1-10-6-8-12-9(13-14-8)7-3-2-4-11-5-7/h2-5,10H,6H2,1H3
InChIKey
VRUSPWZQRCPPHC-UHFFFAOYSA-N
Compound name
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

190.08546 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09274 138.8
[M+Na]+ 213.07468 147.7
[M-H]- 189.07818 142.5
[M+NH4]+ 208.11928 154.4
[M+K]+ 229.04862 146.0
[M+H-H2O]+ 173.08272 129.7
[M+HCOO]- 235.08366 162.0
[M+CH3COO]- 249.09931 152.0
[M+Na-2H]- 211.06013 147.2
[M]+ 190.08491 140.1
[M]- 190.08601 140.1
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

patents stripe