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

94
Patents

181.11028 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.117556 139.8
[M+Na]+ 204.099498 146.8
[M-H]- 180.103004 141.9
[M+NH4]+ 199.144103 158.9
[M+K]+ 220.073438 144.8
[M+H-H2O]+ 164.107540 134.5
[M+HCOO]- 226.108481 161.8
[M+CH3COO]- 240.124131 181.5
[M+Na-2H]- 202.084946 146.2
[M]+ 181.10973142 139.2
[M]- 181.11082858 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