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

1
Patents

194.13068 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 144.8
[M+Na]+ 217.11990 150.9
[M-H]- 193.12340 147.0
[M+NH4]+ 212.16450 163.8
[M+K]+ 233.09384 149.4
[M+H-H2O]+ 177.12794 139.1
[M+HCOO]- 239.12888 165.4
[M+CH3COO]- 253.14453 184.6
[M+Na-2H]- 215.10535 147.8
[M]+ 194.13013 146.0
[M]- 194.13123 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