CID 224175

4-acetamido-2-diethylaminomethylphenol

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CCN(CC)CC1=C(C=CC(=C1)NC(=O)C)O
InChI
InChI=1S/C13H20N2O2/c1-4-15(5-2)9-11-8-12(14-10(3)16)6-7-13(11)17/h6-8,17H,4-5,9H2,1-3H3,(H,14,16)
InChIKey
BOUCRWJEKAGKKG-UHFFFAOYSA-N
Compound name
N-[3-(diethylaminomethyl)-4-hydroxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

8854
Patents

236.15248 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 156.2
[M+Na]+ 259.14170 161.7
[M-H]- 235.14520 159.8
[M+NH4]+ 254.18630 173.6
[M+K]+ 275.11564 160.3
[M+H-H2O]+ 219.14974 149.3
[M+HCOO]- 281.15068 180.1
[M+CH3COO]- 295.16633 199.9
[M+Na-2H]- 257.12715 158.8
[M]+ 236.15193 157.6
[M]- 236.15303 157.6
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

patents stripe