CID 10397396

61102-09-8

Structural Information

Molecular Formula
C11H16O2
SMILES
CC1=C(C(=CC=C1)C)OCC(C)O
InChI
InChI=1S/C11H16O2/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10,12H,7H2,1-3H3
InChIKey
QFOWJPBDGSGFEJ-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

180.11504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.122316 139.2
[M+Na]+ 203.104258 146.9
[M-H]- 179.107764 141.9
[M+NH4]+ 198.148863 159.1
[M+K]+ 219.078198 145.3
[M+H-H2O]+ 163.112300 133.9
[M+HCOO]- 225.113241 161.1
[M+CH3COO]- 239.128891 181.9
[M+Na-2H]- 201.089706 143.3
[M]+ 180.11449142 141.0
[M]- 180.11558858 141.0
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