CID 14339290

4-(1,1-dimethylpropyl)-2-(2-propen-1-yl)-phenol

Structural Information

Molecular Formula
C14H20O
SMILES
CCC(C)(C)C1=CC(=C(C=C1)O)CC=C
InChI
InChI=1S/C14H20O/c1-5-7-11-10-12(8-9-13(11)15)14(3,4)6-2/h5,8-10,15H,1,6-7H2,2-4H3
InChIKey
DFAHCHKNTOVDQQ-UHFFFAOYSA-N
Compound name
4-(2-methylbutan-2-yl)-2-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

204.15141 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15869 147.8
[M+Na]+ 227.14063 155.4
[M-H]- 203.14413 150.3
[M+NH4]+ 222.18523 167.0
[M+K]+ 243.11457 151.8
[M+H-H2O]+ 187.14867 142.8
[M+HCOO]- 249.14961 168.1
[M+CH3COO]- 263.16526 187.6
[M+Na-2H]- 225.12608 152.3
[M]+ 204.15086 148.8
[M]- 204.15196 148.8
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