CID 745580

2,6-bis[(dimethylamino)methyl]-4-methoxyphenol

Structural Information

Molecular Formula
C13H22N2O2
SMILES
CN(C)CC1=CC(=CC(=C1O)CN(C)C)OC
InChI
InChI=1S/C13H22N2O2/c1-14(2)8-10-6-12(17-5)7-11(13(10)16)9-15(3)4/h6-7,16H,8-9H2,1-5H3
InChIKey
HIXNUSUJXZDHKB-UHFFFAOYSA-N
Compound name
2,6-bis[(dimethylamino)methyl]-4-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

238.16812 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.175396 156.5
[M+Na]+ 261.157338 163.0
[M-H]- 237.160844 161.9
[M+NH4]+ 256.201943 174.9
[M+K]+ 277.131278 163.2
[M+H-H2O]+ 221.165380 149.5
[M+HCOO]- 283.166321 181.7
[M+CH3COO]- 297.181971 205.2
[M+Na-2H]- 259.142786 159.0
[M]+ 238.16757142 161.0
[M]- 238.16866858 161.0
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.