CID 118010

1-(2,5-dimethylphenyl)ethanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

150.10446 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 131.7
[M+Na]+ 173.09368 145.0
[M+NH4]+ 168.13828 140.9
[M+K]+ 189.06762 138.7
[M-H]- 149.09718 134.1
[M+Na-2H]- 171.07913 138.5
[M]+ 150.10391 134.3
[M]- 150.10501 134.3
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