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]+ 191.092736 138.8
[M+Na]+ 213.074678 147.7
[M-H]- 189.078184 142.5
[M+NH4]+ 208.119283 154.4
[M+K]+ 229.048618 146.0
[M+H-H2O]+ 173.082720 129.7
[M+HCOO]- 235.083661 162.0
[M+CH3COO]- 249.099311 152.0
[M+Na-2H]- 211.060126 147.2
[M]+ 190.08491142 140.1
[M]- 190.08600858 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