CID 16777323

2-[4-(aminomethyl)-2-methoxyphenoxy]-n,n-dimethylacetamide hydrochloride

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CN(C)C(=O)COC1=C(C=C(C=C1)CN)OC
InChI
InChI=1S/C12H18N2O3/c1-14(2)12(15)8-17-10-5-4-9(7-13)6-11(10)16-3/h4-6H,7-8,13H2,1-3H3
InChIKey
AHJQEAMVADACDZ-UHFFFAOYSA-N
Compound name
2-[4-(aminomethyl)-2-methoxyphenoxy]-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.13174 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.139016 154.4
[M+Na]+ 261.120958 160.7
[M-H]- 237.124464 159.1
[M+NH4]+ 256.165563 172.2
[M+K]+ 277.094898 160.7
[M+H-H2O]+ 221.129000 147.2
[M+HCOO]- 283.129941 179.8
[M+CH3COO]- 297.145591 200.9
[M+Na-2H]- 259.106406 157.1
[M]+ 238.13119142 157.8
[M]- 238.13228858 157.8
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.