CID 59253267

3-(oxan-4-yl)-1,2-oxazol-5-amine

Structural Information

Molecular Formula
C8H12N2O2
SMILES
C1COCCC1C2=NOC(=C2)N
InChI
InChI=1S/C8H12N2O2/c9-8-5-7(10-12-8)6-1-3-11-4-2-6/h5-6H,1-4,9H2
InChIKey
ZDXUOHJZXAROBF-UHFFFAOYSA-N
Compound name
3-(oxan-4-yl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

168.08987 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 134.4
[M+Na]+ 191.07909 140.6
[M-H]- 167.08259 140.2
[M+NH4]+ 186.12369 151.8
[M+K]+ 207.05303 141.2
[M+H-H2O]+ 151.08713 127.5
[M+HCOO]- 213.08807 154.9
[M+CH3COO]- 227.10372 147.5
[M+Na-2H]- 189.06454 140.3
[M]+ 168.08932 131.1
[M]- 168.09042 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

patents stripe