CID 808386

Stk089755

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]+ 205.09715 143.1
[M+Na]+ 227.07909 152.4
[M-H]- 203.08259 147.0
[M+NH4]+ 222.12369 159.5
[M+K]+ 243.05303 150.3
[M+H-H2O]+ 187.08713 135.4
[M+HCOO]- 249.08807 164.7
[M+CH3COO]- 263.10372 182.0
[M+Na-2H]- 225.06454 148.9
[M]+ 204.08932 145.3
[M]- 204.09042 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.