CID 389103

Nsc684788

Structural Information

Molecular Formula
C8H9N3O
SMILES
C1CC(C1)C2=NC(=C(O2)N)C#N
InChI
InChI=1S/C8H9N3O/c9-4-6-7(10)12-8(11-6)5-2-1-3-5/h5H,1-3,10H2
InChIKey
PFSVMRYZZPBWLD-UHFFFAOYSA-N
Compound name
5-amino-2-cyclobutyl-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.07455 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08183 125.6
[M+Na]+ 186.06377 133.7
[M-H]- 162.06727 130.1
[M+NH4]+ 181.10837 137.0
[M+K]+ 202.03771 136.4
[M+H-H2O]+ 146.07181 107.6
[M+HCOO]- 208.07275 144.1
[M+CH3COO]- 222.08840 194.2
[M+Na-2H]- 184.04922 130.4
[M]+ 163.07400 127.3
[M]- 163.07510 127.3
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.