CID 5314058

4-propenylphenol

Structural Information

Molecular Formula
C10H12
SMILES
C/C=C/C1=CC=C(C=C1)C
InChI
InChI=1S/C10H12/c1-3-4-10-7-5-9(2)6-8-10/h3-8H,1-2H3/b4-3+
InChIKey
LSMSSYSRCUNIFX-ONEGZZNKSA-N
Compound name
1-methyl-4-[(E)-prop-1-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1728
Patents

132.0939 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.10118 125.9
[M+Na]+ 155.08312 134.3
[M-H]- 131.08662 129.9
[M+NH4]+ 150.12772 148.4
[M+K]+ 171.05706 131.8
[M+H-H2O]+ 115.09116 120.9
[M+HCOO]- 177.09210 150.5
[M+CH3COO]- 191.10775 174.1
[M+Na-2H]- 153.06857 133.3
[M]+ 132.09335 125.9
[M]- 132.09445 125.9
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