CID 46889921

[1-hydroxy-3-(2-methoxyphenoxy)propan-2-yl] carbamate

Structural Information

Molecular Formula
C11H15NO5
SMILES
COC1=CC=CC=C1OCC(CO)OC(=O)N
InChI
InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-7-8(6-13)17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)
InChIKey
SGJBZNIRQFJMEA-UHFFFAOYSA-N
Compound name
[1-hydroxy-3-(2-methoxyphenoxy)propan-2-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

241.09502 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.10230 152.1
[M+Na]+ 264.08424 157.7
[M-H]- 240.08774 153.7
[M+NH4]+ 259.12884 168.1
[M+K]+ 280.05818 157.2
[M+H-H2O]+ 224.09228 145.3
[M+HCOO]- 286.09322 174.2
[M+CH3COO]- 300.10887 190.9
[M+Na-2H]- 262.06969 154.9
[M]+ 241.09447 154.6
[M]- 241.09557 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe