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

9338
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

literature stripe

Patent stripe

patents stripe