CID 66521187

4-(oxolan-3-yl)phenol

Structural Information

Molecular Formula
C10H12O2
SMILES
C1COCC1C2=CC=C(C=C2)O
InChI
InChI=1S/C10H12O2/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-4,9,11H,5-7H2
InChIKey
XNHZLVQVILSINJ-UHFFFAOYSA-N
Compound name
4-(oxolan-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

164.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.090996 132.8
[M+Na]+ 187.072938 139.6
[M-H]- 163.076444 138.8
[M+NH4]+ 182.117543 153.1
[M+K]+ 203.046878 138.4
[M+H-H2O]+ 147.080980 127.3
[M+HCOO]- 209.081921 154.5
[M+CH3COO]- 223.097571 173.1
[M+Na-2H]- 185.058386 138.4
[M]+ 164.08317142 130.4
[M]- 164.08426858 130.4
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