CID 25219499

[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methanol

Structural Information

Molecular Formula
C6H10N2O2
SMILES
CC(C)C1=NOC(=N1)CO
InChI
InChI=1S/C6H10N2O2/c1-4(2)6-7-5(3-9)10-8-6/h4,9H,3H2,1-2H3
InChIKey
PQDUJWGQTSTVOA-UHFFFAOYSA-N
Compound name
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

142.07423 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.081506 127.9
[M+Na]+ 165.063448 136.8
[M-H]- 141.066954 128.6
[M+NH4]+ 160.108053 146.8
[M+K]+ 181.037388 137.2
[M+H-H2O]+ 125.071490 121.6
[M+HCOO]- 187.072431 148.6
[M+CH3COO]- 201.088081 171.0
[M+Na-2H]- 163.048896 133.6
[M]+ 142.07368142 129.8
[M]- 142.07477858 129.8
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