CID 43102003

2-methyl-1-[3-(4h-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

Structural Information

Molecular Formula
C8H12N6O
SMILES
CC(C)C(C1=NC(=NO1)C2=NC=NN2)N
InChI
InChI=1S/C8H12N6O/c1-4(2)5(9)8-12-7(14-15-8)6-10-3-11-13-6/h3-5H,9H2,1-2H3,(H,10,11,13)
InChIKey
SZOWEFTYJJMKOA-UHFFFAOYSA-N
Compound name
2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

208.10725 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11453 144.2
[M+Na]+ 231.09647 153.2
[M-H]- 207.09997 144.7
[M+NH4]+ 226.14107 157.2
[M+K]+ 247.07041 151.7
[M+H-H2O]+ 191.10451 134.6
[M+HCOO]- 253.10545 163.1
[M+CH3COO]- 267.12110 155.8
[M+Na-2H]- 229.08192 147.3
[M]+ 208.10670 144.4
[M]- 208.10780 144.4
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.