CID 46091

Ar-29

Structural Information

Molecular Formula
C13H20N2O3
SMILES
CC(C1=CC(=C(C=C1)OC)OC(=O)NC)N(C)C
InChI
InChI=1S/C13H20N2O3/c1-9(15(3)4)10-6-7-11(17-5)12(8-10)18-13(16)14-2/h6-9H,1-5H3,(H,14,16)
InChIKey
DZIPMRXSSICQDT-UHFFFAOYSA-N
Compound name
[5-[1-(dimethylamino)ethyl]-2-methoxyphenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.1474 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.15468 159.1
[M+Na]+ 275.13662 164.7
[M-H]- 251.14012 164.2
[M+NH4]+ 270.18122 176.5
[M+K]+ 291.11056 165.4
[M+H-H2O]+ 235.14466 151.8
[M+HCOO]- 297.14560 183.7
[M+CH3COO]- 311.16125 204.8
[M+Na-2H]- 273.12207 161.1
[M]+ 252.14685 163.1
[M]- 252.14795 163.1
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.