CID 6365297

2,6-dimethyl-4-[(e)-2-phenylethenyl]phenol

Structural Information

Molecular Formula
C16H16O
SMILES
CC1=CC(=CC(=C1O)C)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C16H16O/c1-12-10-15(11-13(2)16(12)17)9-8-14-6-4-3-5-7-14/h3-11,17H,1-2H3/b9-8+
InChIKey
PAHKYLUYTGBFNW-CMDGGOBGSA-N
Compound name
2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

224.12012 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12740 150.5
[M+Na]+ 247.10934 159.1
[M-H]- 223.11284 156.4
[M+NH4]+ 242.15394 168.6
[M+K]+ 263.08328 153.9
[M+H-H2O]+ 207.11738 143.9
[M+HCOO]- 269.11832 173.2
[M+CH3COO]- 283.13397 189.4
[M+Na-2H]- 245.09479 155.0
[M]+ 224.11957 150.3
[M]- 224.12067 150.3
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