CID 54023324

2-methyl-1-(4-methylphenyl)prop-2-en-1-ol

Structural Information

Molecular Formula
C11H14O
SMILES
CC1=CC=C(C=C1)C(C(=C)C)O
InChI
InChI=1S/C11H14O/c1-8(2)11(12)10-6-4-9(3)5-7-10/h4-7,11-12H,1H2,2-3H3
InChIKey
LALADWAMDJGEFB-UHFFFAOYSA-N
Compound name
2-methyl-1-(4-methylphenyl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

162.10446 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11174 136.2
[M+Na]+ 185.09368 148.5
[M+NH4]+ 180.13828 144.7
[M+K]+ 201.06762 142.5
[M-H]- 161.09718 138.0
[M+Na-2H]- 183.07913 142.4
[M]+ 162.10391 138.4
[M]- 162.10501 138.4
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