CID 4657540

2-methyl-1-phenyl-2-pentanol

Structural Information

Molecular Formula
C12H18O
SMILES
CCCC(C)(CC1=CC=CC=C1)O
InChI
InChI=1S/C12H18O/c1-3-9-12(2,13)10-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3
InChIKey
MJHGBEOFMCDYKW-UHFFFAOYSA-N
Compound name
2-methyl-1-phenylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

178.13577 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.143046 141.7
[M+Na]+ 201.124988 147.9
[M-H]- 177.128494 143.6
[M+NH4]+ 196.169593 161.3
[M+K]+ 217.098928 145.3
[M+H-H2O]+ 161.133030 136.4
[M+HCOO]- 223.133971 162.5
[M+CH3COO]- 237.149621 180.2
[M+Na-2H]- 199.110436 148.5
[M]+ 178.13522142 141.8
[M]- 178.13631858 141.8
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