CID 360698

Nsc623034

Structural Information

Molecular Formula
C13H25N3O
SMILES
CCCCCCCCCCCC1=NN=C(O1)N
InChI
InChI=1S/C13H25N3O/c1-2-3-4-5-6-7-8-9-10-11-12-15-16-13(14)17-12/h2-11H2,1H3,(H2,14,16)
InChIKey
YEJPDPZLHKSBPB-UHFFFAOYSA-N
Compound name
5-undecyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.19977 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.20705 160.4
[M+Na]+ 262.18899 166.1
[M-H]- 238.19249 160.5
[M+NH4]+ 257.23359 175.6
[M+K]+ 278.16293 164.1
[M+H-H2O]+ 222.19703 151.9
[M+HCOO]- 284.19797 181.4
[M+CH3COO]- 298.21362 196.1
[M+Na-2H]- 260.17444 163.4
[M]+ 239.19922 164.1
[M]- 239.20032 164.1
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

No patent data available for this compound.