CID 21586021

2-(4-methoxyphenyl)-3-methylbutan-1-ol

Structural Information

Molecular Formula
C12H18O2
SMILES
CC(C)C(CO)C1=CC=C(C=C1)OC
InChI
InChI=1S/C12H18O2/c1-9(2)12(8-13)10-4-6-11(14-3)7-5-10/h4-7,9,12-13H,8H2,1-3H3
InChIKey
FGSAKKPRJLEBBG-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-3-methylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.13068 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.137956 144.8
[M+Na]+ 217.119898 150.9
[M-H]- 193.123404 147.0
[M+NH4]+ 212.164503 163.8
[M+K]+ 233.093838 149.4
[M+H-H2O]+ 177.127940 139.1
[M+HCOO]- 239.128881 165.4
[M+CH3COO]- 253.144531 184.6
[M+Na-2H]- 215.105346 147.8
[M]+ 194.13013142 146.0
[M]- 194.13122858 146.0
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