CID 50037

2-dimethylaminoethyl n-(4-methoxyphenyl)carbamate

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CN(C)CCOC(=O)NC1=CC=C(C=C1)OC
InChI
InChI=1S/C12H18N2O3/c1-14(2)8-9-17-12(15)13-10-4-6-11(16-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,13,15)
InChIKey
KLVQZOFHWMAXHY-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-(4-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

238.13174 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.139016 154.5
[M+Na]+ 261.120958 159.9
[M-H]- 237.124464 159.3
[M+NH4]+ 256.165563 172.2
[M+K]+ 277.094898 160.1
[M+H-H2O]+ 221.129000 147.0
[M+HCOO]- 283.129941 180.5
[M+CH3COO]- 297.145591 199.6
[M+Na-2H]- 259.106406 158.9
[M]+ 238.13119142 158.4
[M]- 238.13228858 158.4
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

No patent data available for this compound.