CID 54593897

2-amino-1-[4-(propan-2-yloxy)phenyl]ethan-1-ol

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC(C)OC1=CC=C(C=C1)C(CN)O
InChI
InChI=1S/C11H17NO2/c1-8(2)14-10-5-3-9(4-6-10)11(13)7-12/h3-6,8,11,13H,7,12H2,1-2H3
InChIKey
QWXSKTDBYAVWAF-UHFFFAOYSA-N
Compound name
2-amino-1-(4-propan-2-yloxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

195.12593 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 145.3
[M+Na]+ 218.11515 150.9
[M-H]- 194.11865 147.0
[M+NH4]+ 213.15975 163.5
[M+K]+ 234.08909 149.2
[M+H-H2O]+ 178.12319 139.2
[M+HCOO]- 240.12413 166.5
[M+CH3COO]- 254.13978 185.9
[M+Na-2H]- 216.10060 147.8
[M]+ 195.12538 144.2
[M]- 195.12648 144.2
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