CID 21422981

2-(4-amino-2-methylphenoxy)ethan-1-ol

Structural Information

Molecular Formula
C9H13NO2
SMILES
CC1=C(C=CC(=C1)N)OCCO
InChI
InChI=1S/C9H13NO2/c1-7-6-8(10)2-3-9(7)12-5-4-11/h2-3,6,11H,4-5,10H2,1H3
InChIKey
ZIVAZXHGZOINOO-UHFFFAOYSA-N
Compound name
2-(4-amino-2-methylphenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

167.09464 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 134.7
[M+Na]+ 190.08386 142.6
[M-H]- 166.08736 137.0
[M+NH4]+ 185.12846 154.5
[M+K]+ 206.05780 140.5
[M+H-H2O]+ 150.09190 129.1
[M+HCOO]- 212.09284 158.6
[M+CH3COO]- 226.10849 179.2
[M+Na-2H]- 188.06931 140.2
[M]+ 167.09409 134.6
[M]- 167.09519 134.6
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