CID 28149

3-(o-methoxyphenoxy)-2-hydroxypropyl aminocarbamate

Structural Information

Molecular Formula
C11H16N2O5
SMILES
COC1=CC=CC=C1OCC(COC(=O)NN)O
InChI
InChI=1S/C11H16N2O5/c1-16-9-4-2-3-5-10(9)17-6-8(14)7-18-11(15)13-12/h2-5,8,14H,6-7,12H2,1H3,(H,13,15)
InChIKey
NJDDBFWJDXNNGL-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(2-methoxyphenoxy)propyl] N-aminocarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.10593 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11321 155.4
[M+Na]+ 279.09515 160.1
[M-H]- 255.09865 157.0
[M+NH4]+ 274.13975 170.5
[M+K]+ 295.06909 159.7
[M+H-H2O]+ 239.10319 148.0
[M+HCOO]- 301.10413 178.5
[M+CH3COO]- 315.11978 195.5
[M+Na-2H]- 277.08060 158.5
[M]+ 256.10538 157.0
[M]- 256.10648 157.0
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.