CID 28063892

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

Structural Information

Molecular Formula
C6H10N2O2
SMILES
CC(C)C1=NC(=NO1)CO
InChI
InChI=1S/C6H10N2O2/c1-4(2)6-7-5(3-9)8-10-6/h4,9H,3H2,1-2H3
InChIKey
VGQFCAAVDHZPFI-UHFFFAOYSA-N
Compound name
(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

142.07423 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.08151 127.9
[M+Na]+ 165.06345 136.8
[M-H]- 141.06695 128.6
[M+NH4]+ 160.10805 146.8
[M+K]+ 181.03739 137.2
[M+H-H2O]+ 125.07149 121.6
[M+HCOO]- 187.07243 148.6
[M+CH3COO]- 201.08808 171.0
[M+Na-2H]- 163.04890 133.6
[M]+ 142.07368 129.8
[M]- 142.07478 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