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]+ 239.13902 154.4
[M+Na]+ 261.12096 160.7
[M-H]- 237.12446 159.1
[M+NH4]+ 256.16556 172.2
[M+K]+ 277.09490 160.7
[M+H-H2O]+ 221.12900 147.2
[M+HCOO]- 283.12994 179.8
[M+CH3COO]- 297.14559 200.9
[M+Na-2H]- 259.10641 157.1
[M]+ 238.13119 157.8
[M]- 238.13229 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.