CID 60300

109184-80-7

Structural Information

Molecular Formula
C13H20N2O4
SMILES
CC1=CC=CC=C1OCC(COC(=O)NCCN)O
InChI
InChI=1S/C13H20N2O4/c1-10-4-2-3-5-12(10)18-8-11(16)9-19-13(17)15-7-6-14/h2-5,11,16H,6-9,14H2,1H3,(H,15,17)
InChIKey
PCMOPIGRIPMXGA-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(2-methylphenoxy)propyl] N-(2-aminoethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14958 162.3
[M+Na]+ 291.13152 166.3
[M-H]- 267.13502 163.5
[M+NH4]+ 286.17612 177.0
[M+K]+ 307.10546 164.9
[M+H-H2O]+ 251.13956 154.8
[M+HCOO]- 313.14050 184.5
[M+CH3COO]- 327.15615 199.3
[M+Na-2H]- 289.11697 164.3
[M]+ 268.14175 163.2
[M]- 268.14285 163.2
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.