CID 54594398

1-(4-aminophenoxy)-2-methylpropan-2-ol

Structural Information

Molecular Formula
C10H15NO2
SMILES
CC(C)(COC1=CC=C(C=C1)N)O
InChI
InChI=1S/C10H15NO2/c1-10(2,12)7-13-9-5-3-8(11)4-6-9/h3-6,12H,7,11H2,1-2H3
InChIKey
WVVILWRGONPTHM-UHFFFAOYSA-N
Compound name
1-(4-aminophenoxy)-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

181.11028 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 139.8
[M+Na]+ 204.09950 146.8
[M-H]- 180.10300 141.9
[M+NH4]+ 199.14410 158.9
[M+K]+ 220.07344 144.8
[M+H-H2O]+ 164.10754 134.5
[M+HCOO]- 226.10848 161.8
[M+CH3COO]- 240.12413 181.5
[M+Na-2H]- 202.08495 146.2
[M]+ 181.10973 139.2
[M]- 181.11083 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe