CID 808386

4-(3-propyl-1,2,4-oxadiazol-5-yl)phenol

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CCCC1=NOC(=N1)C2=CC=C(C=C2)O
InChI
InChI=1S/C11H12N2O2/c1-2-3-10-12-11(15-13-10)8-4-6-9(14)7-5-8/h4-7,14H,2-3H2,1H3
InChIKey
VBUHCNFMQAJDSD-UHFFFAOYSA-N
Compound name
4-(3-propyl-1,2,4-oxadiazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.097146 143.1
[M+Na]+ 227.079088 152.4
[M-H]- 203.082594 147.0
[M+NH4]+ 222.123693 159.5
[M+K]+ 243.053028 150.3
[M+H-H2O]+ 187.087130 135.4
[M+HCOO]- 249.088071 164.7
[M+CH3COO]- 263.103721 182.0
[M+Na-2H]- 225.064536 148.9
[M]+ 204.08932142 145.3
[M]- 204.09041858 145.3
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

No patent data available for this compound.