CID 84649398

1402565-90-5

Structural Information

Molecular Formula
C9H10O2
SMILES
C1C(CO1)C2=CC=C(C=C2)O
InChI
InChI=1S/C9H10O2/c10-9-3-1-7(2-4-9)8-5-11-6-8/h1-4,8,10H,5-6H2
InChIKey
ITSMPXAZHUUVCB-UHFFFAOYSA-N
Compound name
4-(oxetan-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

150.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 122.5
[M+Na]+ 173.05730 129.0
[M-H]- 149.06080 128.8
[M+NH4]+ 168.10190 135.5
[M+K]+ 189.03124 131.5
[M+H-H2O]+ 133.06534 112.1
[M+HCOO]- 195.06628 143.7
[M+CH3COO]- 209.08193 175.6
[M+Na-2H]- 171.04275 130.7
[M]+ 150.06753 130.4
[M]- 150.06863 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