CID 82001

4-isopropoxyphenol

Structural Information

Molecular Formula
C9H12O2
SMILES
CC(C)OC1=CC=C(C=C1)O
InChI
InChI=1S/C9H12O2/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7,10H,1-2H3
InChIKey
QEYQMWSESURNPP-UHFFFAOYSA-N
Compound name
4-propan-2-yloxyphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

734
Patents

152.08372 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 130.6
[M+Na]+ 175.07294 138.2
[M-H]- 151.07644 133.2
[M+NH4]+ 170.11754 151.3
[M+K]+ 191.04688 137.0
[M+H-H2O]+ 135.08098 125.4
[M+HCOO]- 197.08192 153.2
[M+CH3COO]- 211.09757 174.7
[M+Na-2H]- 173.05839 136.4
[M]+ 152.08317 131.3
[M]- 152.08427 131.3
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.