CID 3048394

63905-26-0

Structural Information

Molecular Formula
C10H15NO3
SMILES
CC1=C(C=CC(=C1)N)OCC(CO)O
InChI
InChI=1S/C10H15NO3/c1-7-4-8(11)2-3-10(7)14-6-9(13)5-12/h2-4,9,12-13H,5-6,11H2,1H3
InChIKey
WFLFOFDFIHOEFA-UHFFFAOYSA-N
Compound name
3-(4-amino-2-methylphenoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.1052 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 143.0
[M+Na]+ 220.09442 153.0
[M+NH4]+ 215.13902 149.8
[M+K]+ 236.06836 148.7
[M-H]- 196.09792 143.7
[M+Na-2H]- 218.07987 147.2
[M]+ 197.10465 144.3
[M]- 197.10575 144.3
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

No patent data available for this compound.