CID 15624

2-allylphenol

Structural Information

Molecular Formula
C9H10O
SMILES
C=CCC1=CC=CC=C1O
InChI
InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2
InChIKey
QIRNGVVZBINFMX-UHFFFAOYSA-N
Compound name
2-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

26
References

26875
Patents

134.07317 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08045 125.6
[M+Na]+ 157.06239 133.9
[M-H]- 133.06589 128.2
[M+NH4]+ 152.10699 147.1
[M+K]+ 173.03633 131.0
[M+H-H2O]+ 117.07043 120.7
[M+HCOO]- 179.07137 149.1
[M+CH3COO]- 193.08702 170.9
[M+Na-2H]- 155.04784 132.8
[M]+ 134.07262 124.8
[M]- 134.07372 124.8
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.