CID 71351213

Ns00116957

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC1=CC(=CC(=C1OC[C@@H](C)N)C)O
InChI
InChI=1S/C11H17NO2/c1-7-4-10(13)5-8(2)11(7)14-6-9(3)12/h4-5,9,13H,6,12H2,1-3H3/t9-/m1/s1
InChIKey
YWOSWRCXWBDSRQ-SECBINFHSA-N
Compound name
4-[(2R)-2-aminopropoxy]-3,5-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

11
Patents

195.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 143.8
[M+Na]+ 218.11515 155.1
[M+NH4]+ 213.15975 151.4
[M+K]+ 234.08909 149.9
[M-H]- 194.11865 145.6
[M+Na-2H]- 216.10060 148.7
[M]+ 195.12538 145.8
[M]- 195.12648 145.8
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.