CID 28063865

(3-ethyl-1,2,4-oxadiazol-5-yl)methanol

Structural Information

Molecular Formula
C5H8N2O2
SMILES
CCC1=NOC(=N1)CO
InChI
InChI=1S/C5H8N2O2/c1-2-4-6-5(3-8)9-7-4/h8H,2-3H2,1H3
InChIKey
XCFHOYKWHOGMNG-UHFFFAOYSA-N
Compound name
(3-ethyl-1,2,4-oxadiazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

128.05858 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.065856 122.7
[M+Na]+ 151.047798 132.3
[M-H]- 127.051304 123.3
[M+NH4]+ 146.092403 142.2
[M+K]+ 167.021738 132.4
[M+H-H2O]+ 111.055840 116.4
[M+HCOO]- 173.056781 144.7
[M+CH3COO]- 187.072431 167.2
[M+Na-2H]- 149.033246 130.2
[M]+ 128.05803142 124.8
[M]- 128.05912858 124.8
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