CID 6437176

Einecs 267-742-7

Structural Information

Molecular Formula
C14H20O2
SMILES
C/C=C/C1=CC(=C(C=C1C(C)(C)C)O)OC
InChI
InChI=1S/C14H20O2/c1-6-7-10-8-13(16-5)12(15)9-11(10)14(2,3)4/h6-9,15H,1-5H3/b7-6+
InChIKey
GOSYKXZLWIQKJI-VOTSOKGWSA-N
Compound name
5-tert-butyl-2-methoxy-4-[(E)-prop-1-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

220.14633 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.153606 150.8
[M+Na]+ 243.135548 159.4
[M-H]- 219.139054 153.7
[M+NH4]+ 238.180153 169.7
[M+K]+ 259.109488 156.4
[M+H-H2O]+ 203.143590 145.9
[M+HCOO]- 265.144531 171.4
[M+CH3COO]- 279.160181 189.5
[M+Na-2H]- 241.120996 154.7
[M]+ 220.14578142 153.5
[M]- 220.14687858 153.5
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.