CID 43470411

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

Structural Information

Molecular Formula
C9H14N6O
SMILES
CC(C)(C)C(C1=NC(=NO1)C2=NC=NN2)N
InChI
InChI=1S/C9H14N6O/c1-9(2,3)5(10)8-13-7(15-16-8)6-11-4-12-14-6/h4-5H,10H2,1-3H3,(H,11,12,14)
InChIKey
ITFNIZSGXYLNNO-UHFFFAOYSA-N
Compound name
2,2-dimethyl-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

222.12291 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.13019 149.9
[M+Na]+ 245.11213 159.2
[M-H]- 221.11563 150.6
[M+NH4]+ 240.15673 162.6
[M+K]+ 261.08607 157.4
[M+H-H2O]+ 205.12017 140.9
[M+HCOO]- 267.12111 167.8
[M+CH3COO]- 281.13676 186.8
[M+Na-2H]- 243.09758 154.4
[M]+ 222.12236 150.4
[M]- 222.12346 150.4
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.