CID 19822435

(2-tert-butylphenyl)methanol

Structural Information

Molecular Formula
C11H16O
SMILES
CC(C)(C)C1=CC=CC=C1CO
InChI
InChI=1S/C11H16O/c1-11(2,3)10-7-5-4-6-9(10)8-12/h4-7,12H,8H2,1-3H3
InChIKey
QYUGGQFEZYGJPG-UHFFFAOYSA-N
Compound name
(2-tert-butylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

721
Patents

164.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 136.4
[M+Na]+ 187.10934 144.1
[M-H]- 163.11284 139.0
[M+NH4]+ 182.15394 157.0
[M+K]+ 203.08328 141.8
[M+H-H2O]+ 147.11738 131.7
[M+HCOO]- 209.11832 157.5
[M+CH3COO]- 223.13397 177.6
[M+Na-2H]- 185.09479 143.1
[M]+ 164.11957 136.5
[M]- 164.12067 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

No literature data available for this compound.

Patent stripe

patents stripe