CID 21475

1-(2,4-dimethylphenyl)ethanol

Structural Information

Molecular Formula
C10H14O
SMILES
CC1=CC(=C(C=C1)C(C)O)C
InChI
InChI=1S/C10H14O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6,9,11H,1-3H3
InChIKey
DNHQUGRUHBFDFT-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

150.10446 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 131.0
[M+Na]+ 173.093678 139.3
[M-H]- 149.097184 133.9
[M+NH4]+ 168.138283 152.3
[M+K]+ 189.067618 137.3
[M+H-H2O]+ 133.101720 126.2
[M+HCOO]- 195.102661 153.0
[M+CH3COO]- 209.118311 176.9
[M+Na-2H]- 171.079126 135.7
[M]+ 150.10391142 131.0
[M]- 150.10500858 131.0
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