CID 13103192

Alpha-(2-(dimethylamino)ethyl)-p-methoxybenzyl alcohol carbamate (ester)

Structural Information

Molecular Formula
C13H20N2O3
SMILES
CN(C)CCC(C1=CC=C(C=C1)OC)OC(=O)N
InChI
InChI=1S/C13H20N2O3/c1-15(2)9-8-12(18-13(14)16)10-4-6-11(17-3)7-5-10/h4-7,12H,8-9H2,1-3H3,(H2,14,16)
InChIKey
APUYTSAAXDUUPS-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)-1-(4-methoxyphenyl)propyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.1474 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.15468 159.8
[M+Na]+ 275.13662 164.5
[M-H]- 251.14012 164.0
[M+NH4]+ 270.18122 176.6
[M+K]+ 291.11056 164.7
[M+H-H2O]+ 235.14466 152.3
[M+HCOO]- 297.14560 183.9
[M+CH3COO]- 311.16125 203.6
[M+Na-2H]- 273.12207 161.4
[M]+ 252.14685 162.5
[M]- 252.14795 162.5
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.