CID 13416

4-tert-butylbenzyl alcohol

Structural Information

Molecular Formula
C11H16O
SMILES
CC(C)(C)C1=CC=C(C=C1)CO
InChI
InChI=1S/C11H16O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3
InChIKey
FVEINXLJOJPHLH-UHFFFAOYSA-N
Compound name
(4-tert-butylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1856
Patents

164.12012 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.127396 136.4
[M+Na]+ 187.109338 144.1
[M-H]- 163.112844 139.0
[M+NH4]+ 182.153943 157.0
[M+K]+ 203.083278 141.8
[M+H-H2O]+ 147.117380 131.7
[M+HCOO]- 209.118321 157.5
[M+CH3COO]- 223.133971 177.6
[M+Na-2H]- 185.094786 143.1
[M]+ 164.11957142 136.5
[M]- 164.12066858 136.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe