CID 105902

67874-75-3

Structural Information

Molecular Formula
C14H20O2
SMILES
CC(C)(C)C1=CC(=C(C=C1CC=C)OC)O
InChI
InChI=1S/C14H20O2/c1-6-7-10-8-13(16-5)12(15)9-11(10)14(2,3)4/h6,8-9,15H,1,7H2,2-5H3
InChIKey
DNDJANVQFAOBRN-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-methoxy-4-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

220.14633 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15361 150.6
[M+Na]+ 243.13555 159.1
[M-H]- 219.13905 153.4
[M+NH4]+ 238.18015 169.4
[M+K]+ 259.10949 156.1
[M+H-H2O]+ 203.14359 145.6
[M+HCOO]- 265.14453 171.1
[M+CH3COO]- 279.16018 190.2
[M+Na-2H]- 241.12100 154.5
[M]+ 220.14578 153.3
[M]- 220.14688 153.3
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

patents stripe