CID 100526

N-acetyldopamine

Structural Information

Molecular Formula
C10H13NO3
SMILES
CC(=O)NCCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C10H13NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-3,6,13-14H,4-5H2,1H3,(H,11,12)
InChIKey
OFSAJYZMIPNPHE-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

107
References

257
Patents

195.08954 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.096816 141.7
[M+Na]+ 218.078758 148.7
[M-H]- 194.082264 143.0
[M+NH4]+ 213.123363 159.7
[M+K]+ 234.052698 146.2
[M+H-H2O]+ 178.086800 136.0
[M+HCOO]- 240.087741 163.8
[M+CH3COO]- 254.103391 181.9
[M+Na-2H]- 216.064206 145.9
[M]+ 195.08899142 141.1
[M]- 195.09008858 141.1
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