CID 20120913

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

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1CC(C1)C2=NN=C(O2)N
InChI
InChI=1S/C6H9N3O/c7-6-9-8-5(10-6)4-2-1-3-4/h4H,1-3H2,(H2,7,9)
InChIKey
XJOJXINBSJBDHU-UHFFFAOYSA-N
Compound name
5-cyclobutyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.07455 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 122.2
[M+Na]+ 162.06377 128.9
[M-H]- 138.06727 126.5
[M+NH4]+ 157.10837 134.6
[M+K]+ 178.03771 131.9
[M+H-H2O]+ 122.07181 109.8
[M+HCOO]- 184.07275 143.8
[M+CH3COO]- 198.08840 176.7
[M+Na-2H]- 160.04922 128.7
[M]+ 139.07400 129.2
[M]- 139.07510 129.2
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.