CID 12866707

5-butyl-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C6H11N3O
SMILES
CCCCC1=NN=C(O1)N
InChI
InChI=1S/C6H11N3O/c1-2-3-4-5-8-9-6(7)10-5/h2-4H2,1H3,(H2,7,9)
InChIKey
JANUDBLANRHSLI-UHFFFAOYSA-N
Compound name
5-butyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

421
Patents

141.09021 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.09749 128.5
[M+Na]+ 164.07943 137.2
[M-H]- 140.08293 129.8
[M+NH4]+ 159.12403 147.6
[M+K]+ 180.05337 137.0
[M+H-H2O]+ 124.08747 121.4
[M+HCOO]- 186.08841 151.8
[M+CH3COO]- 200.10406 174.9
[M+Na-2H]- 162.06488 135.2
[M]+ 141.08966 129.6
[M]- 141.09076 129.6
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

patents stripe