CID 105433751

2361638-66-4

Structural Information

Molecular Formula
C8H12N2O2
SMILES
C1COCCC1C2=C(C=NO2)N
InChI
InChI=1S/C8H12N2O2/c9-7-5-10-12-8(7)6-1-3-11-4-2-6/h5-6H,1-4,9H2
InChIKey
DFIBEIATGFXXBH-UHFFFAOYSA-N
Compound name
5-(oxan-4-yl)-1,2-oxazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.08987 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.097146 134.4
[M+Na]+ 191.079088 140.6
[M-H]- 167.082594 140.2
[M+NH4]+ 186.123693 151.8
[M+K]+ 207.053028 141.2
[M+H-H2O]+ 151.087130 127.5
[M+HCOO]- 213.088071 154.9
[M+CH3COO]- 227.103721 147.5
[M+Na-2H]- 189.064536 140.3
[M]+ 168.08932142 131.1
[M]- 168.09041858 131.1
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.