CID 53401457

(4-tert-butyl-3-methoxyphenyl)methanol

Structural Information

Molecular Formula
C12H18O2
SMILES
CC(C)(C)C1=C(C=C(C=C1)CO)OC
InChI
InChI=1S/C12H18O2/c1-12(2,3)10-6-5-9(8-13)7-11(10)14-4/h5-7,13H,8H2,1-4H3
InChIKey
QINKAJCTBATLOR-UHFFFAOYSA-N
Compound name
(4-tert-butyl-3-methoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

194.13068 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 143.7
[M+Na]+ 217.11990 151.9
[M-H]- 193.12340 146.5
[M+NH4]+ 212.16450 163.4
[M+K]+ 233.09384 149.9
[M+H-H2O]+ 177.12794 138.8
[M+HCOO]- 239.12888 164.8
[M+CH3COO]- 253.14453 183.8
[M+Na-2H]- 215.10535 149.3
[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