CID 57833

100371-41-3

Structural Information

Molecular Formula
C12H17NO5
SMILES
CNC(=O)OCC(COC1=CC=CC=C1OC)O
InChI
InChI=1S/C12H17NO5/c1-13-12(15)18-8-9(14)7-17-11-6-4-3-5-10(11)16-2/h3-6,9,14H,7-8H2,1-2H3,(H,13,15)
InChIKey
ISICZGLMNYHTGE-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(2-methoxyphenoxy)propyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.11067 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.11795 156.5
[M+Na]+ 278.09989 161.7
[M-H]- 254.10339 158.5
[M+NH4]+ 273.14449 172.3
[M+K]+ 294.07383 161.3
[M+H-H2O]+ 238.10793 149.4
[M+HCOO]- 300.10887 178.9
[M+CH3COO]- 314.12452 193.8
[M+Na-2H]- 276.08534 159.8
[M]+ 255.11012 160.2
[M]- 255.11122 160.2
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.