CID 17680497

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

Structural Information

Molecular Formula
C8H9N3OS
SMILES
CNCC1=NC(=NO1)C2=CC=CS2
InChI
InChI=1S/C8H9N3OS/c1-9-5-7-10-8(11-12-7)6-3-2-4-13-6/h2-4,9H,5H2,1H3
InChIKey
DGKMEQUJLGMADY-UHFFFAOYSA-N
Compound name
N-methyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.04663 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05391 137.2
[M+Na]+ 218.03585 148.5
[M-H]- 194.03935 143.7
[M+NH4]+ 213.08045 157.1
[M+K]+ 234.00979 147.0
[M+H-H2O]+ 178.04389 130.6
[M+HCOO]- 240.04483 159.6
[M+CH3COO]- 254.06048 152.1
[M+Na-2H]- 216.02130 141.2
[M]+ 195.04608 142.4
[M]- 195.04718 142.4
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.