CID 60276

108922-82-3

Structural Information

Molecular Formula
C13H20N2O5
SMILES
COC1=CC=CC=C1OCC(COC(=O)NCCN)O
InChI
InChI=1S/C13H20N2O5/c1-18-11-4-2-3-5-12(11)19-8-10(16)9-20-13(17)15-7-6-14/h2-5,10,16H,6-9,14H2,1H3,(H,15,17)
InChIKey
ZFELPRYUJBVMKH-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(2-methoxyphenoxy)propyl] N-(2-aminoethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1372 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.144476 164.5
[M+Na]+ 307.126418 168.2
[M-H]- 283.129924 165.6
[M+NH4]+ 302.171023 178.3
[M+K]+ 323.100358 167.4
[M+H-H2O]+ 267.134460 156.6
[M+HCOO]- 329.135401 186.8
[M+CH3COO]- 343.151051 201.5
[M+Na-2H]- 305.111866 166.6
[M]+ 284.13665142 166.7
[M]- 284.13774858 166.7
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.