CID 50415

Brn 0750716

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CCOC(=O)NNC(C)C1=CC=C(C=C1)OC
InChI
InChI=1S/C12H18N2O3/c1-4-17-12(15)14-13-9(2)10-5-7-11(16-3)8-6-10/h5-9,13H,4H2,1-3H3,(H,14,15)
InChIKey
XXWXKVWOGOPGGM-UHFFFAOYSA-N
Compound name
ethyl N-[1-(4-methoxyphenyl)ethylamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.13174 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.139016 154.8
[M+Na]+ 261.120958 159.8
[M-H]- 237.124464 158.2
[M+NH4]+ 256.165563 171.8
[M+K]+ 277.094898 159.1
[M+H-H2O]+ 221.129000 147.5
[M+HCOO]- 283.129941 179.3
[M+CH3COO]- 297.145591 197.1
[M+Na-2H]- 259.106406 158.7
[M]+ 238.13119142 156.8
[M]- 238.13228858 156.8
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.