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

16
Patents

140.05858 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06586 130.1
[M+Na]+ 163.04780 141.3
[M-H]- 139.05130 134.8
[M+NH4]+ 158.09240 144.2
[M+K]+ 179.02174 139.4
[M+H-H2O]+ 123.05584 122.9
[M+HCOO]- 185.05678 152.0
[M+CH3COO]- 199.07243 172.6
[M+Na-2H]- 161.03325 137.0
[M]+ 140.05803 133.6
[M]- 140.05913 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