CID 16767530

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

Structural Information

Molecular Formula
C6H8N2O2
SMILES
C1CC1C2=NC(=NO2)CO
InChI
InChI=1S/C6H8N2O2/c9-3-5-7-6(10-8-5)4-1-2-4/h4,9H,1-3H2
InChIKey
OTSUEZKWAUCIHN-UHFFFAOYSA-N
Compound name
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

140.05858 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.065856 130.1
[M+Na]+ 163.047798 141.3
[M-H]- 139.051304 134.8
[M+NH4]+ 158.092403 144.2
[M+K]+ 179.021738 139.4
[M+H-H2O]+ 123.055840 122.9
[M+HCOO]- 185.056781 152.0
[M+CH3COO]- 199.072431 172.6
[M+Na-2H]- 161.033246 137.0
[M]+ 140.05803142 133.6
[M]- 140.05912858 133.6
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