CID 584247

4-isopropenylphenol

Structural Information

Molecular Formula
C9H10O
SMILES
CC(=C)C1=CC=C(C=C1)O
InChI
InChI=1S/C9H10O/c1-7(2)8-3-5-9(10)6-4-8/h3-6,10H,1H2,2H3
InChIKey
JAGRUUPXPPLSRX-UHFFFAOYSA-N
Compound name
4-prop-1-en-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

9098
Patents

134.07317 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08045 125.7
[M+Na]+ 157.06239 133.8
[M-H]- 133.06589 128.5
[M+NH4]+ 152.10699 147.2
[M+K]+ 173.03633 131.4
[M+H-H2O]+ 117.07043 121.0
[M+HCOO]- 179.07137 148.3
[M+CH3COO]- 193.08702 171.7
[M+Na-2H]- 155.04784 131.7
[M]+ 134.07262 124.3
[M]- 134.07372 124.3
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.