CID 3064069

Phenol, 2-methoxy-4-((2-oxazolin-2-yl)amino)methyl-

Structural Information

Molecular Formula
C11H14N2O3
SMILES
COC1=C(C=CC(=C1)CNC2=NCCO2)O
InChI
InChI=1S/C11H14N2O3/c1-15-10-6-8(2-3-9(10)14)7-13-11-12-4-5-16-11/h2-3,6,14H,4-5,7H2,1H3,(H,12,13)
InChIKey
JSWIQUSGCBFVMK-UHFFFAOYSA-N
Compound name
4-[(4,5-dihydro-1,3-oxazol-2-ylamino)methyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.10045 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.107726 147.1
[M+Na]+ 245.089668 154.4
[M-H]- 221.093174 152.1
[M+NH4]+ 240.134273 163.7
[M+K]+ 261.063608 153.1
[M+H-H2O]+ 205.097710 139.7
[M+HCOO]- 267.098651 169.8
[M+CH3COO]- 281.114301 186.0
[M+Na-2H]- 243.075116 152.7
[M]+ 222.09990142 148.0
[M]- 222.10099858 148.0
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.