CID 138060

2,2-dimethyl-1-phenyl-1-propanol

Structural Information

Molecular Formula
C11H16O
SMILES
CC(C)(C)C(C1=CC=CC=C1)O
InChI
InChI=1S/C11H16O/c1-11(2,3)10(12)9-7-5-4-6-8-9/h4-8,10,12H,1-3H3
InChIKey
YBVRFTBNIZWMSK-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2615
Patents

164.12012 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.127396 137.0
[M+Na]+ 187.109338 143.5
[M-H]- 163.112844 139.3
[M+NH4]+ 182.153943 157.2
[M+K]+ 203.083278 141.6
[M+H-H2O]+ 147.117380 132.1
[M+HCOO]- 209.118321 157.1
[M+CH3COO]- 223.133971 177.3
[M+Na-2H]- 185.094786 143.1
[M]+ 164.11957142 136.0
[M]- 164.12066858 136.0
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