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]+ 256.117946 156.5
[M+Na]+ 278.099888 161.7
[M-H]- 254.103394 158.5
[M+NH4]+ 273.144493 172.3
[M+K]+ 294.073828 161.3
[M+H-H2O]+ 238.107930 149.4
[M+HCOO]- 300.108871 178.9
[M+CH3COO]- 314.124521 193.8
[M+Na-2H]- 276.085336 159.8
[M]+ 255.11012142 160.2
[M]- 255.11121858 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.