CID 13597248

(1s)-1-(3,4-dimethylphenyl)ethan-1-ol

Structural Information

Molecular Formula
C10H14O
SMILES
CC1=C(C=C(C=C1)[C@H](C)O)C
InChI
InChI=1S/C10H14O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6,9,11H,1-3H3/t9-/m0/s1
InChIKey
WTTSQZZOTXFJJG-VIFPVBQESA-N
Compound name
(1S)-1-(3,4-dimethylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No patent data available for this compound.