CID 98019

3-methyl-1-phenylbutan-2-ol

Structural Information

Molecular Formula
C11H16O
SMILES
CC(C)C(CC1=CC=CC=C1)O
InChI
InChI=1S/C11H16O/c1-9(2)11(12)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3
InChIKey
AFLKKLSCQQGOEK-UHFFFAOYSA-N
Compound name
3-methyl-1-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

193
Patents

164.12012 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 137.7
[M+Na]+ 187.10934 143.3
[M-H]- 163.11284 139.6
[M+NH4]+ 182.15394 157.6
[M+K]+ 203.08328 141.5
[M+H-H2O]+ 147.11738 132.2
[M+HCOO]- 209.11832 158.3
[M+CH3COO]- 223.13397 178.5
[M+Na-2H]- 185.09479 141.8
[M]+ 164.11957 136.6
[M]- 164.12067 136.6
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