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]+ 285.14448 164.5
[M+Na]+ 307.12642 168.2
[M-H]- 283.12992 165.6
[M+NH4]+ 302.17102 178.3
[M+K]+ 323.10036 167.4
[M+H-H2O]+ 267.13446 156.6
[M+HCOO]- 329.13540 186.8
[M+CH3COO]- 343.15105 201.5
[M+Na-2H]- 305.11187 166.6
[M]+ 284.13665 166.7
[M]- 284.13775 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.