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 143.3
[M+Na]+ 220.09442 150.0
[M-H]- 196.09792 144.0
[M+NH4]+ 215.13902 161.0
[M+K]+ 236.06836 147.7
[M+H-H2O]+ 180.10246 137.5
[M+HCOO]- 242.10340 164.5
[M+CH3COO]- 256.11905 182.9
[M+Na-2H]- 218.07987 146.4
[M]+ 197.10465 142.4
[M]- 197.10575 142.4
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.