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]+ 223.130186 149.9
[M+Na]+ 245.112128 159.2
[M-H]- 221.115634 150.6
[M+NH4]+ 240.156733 162.6
[M+K]+ 261.086068 157.4
[M+H-H2O]+ 205.120170 140.9
[M+HCOO]- 267.121111 167.8
[M+CH3COO]- 281.136761 186.8
[M+Na-2H]- 243.097576 154.4
[M]+ 222.12236142 150.4
[M]- 222.12345858 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.