CID 3022284

93777-00-5

Structural Information

Molecular Formula
C11H15NO3
SMILES
CCNC(C)C(=O)C1=CC(=C(C=C1)O)O
InChI
InChI=1S/C11H15NO3/c1-3-12-7(2)11(15)8-4-5-9(13)10(14)6-8/h4-7,12-14H,3H2,1-2H3
InChIKey
MMTPCMCJFNWHLO-UHFFFAOYSA-N
Compound name
1-(3,4-dihydroxyphenyl)-2-(ethylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

209.1052 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 146.3
[M+Na]+ 232.09442 152.6
[M-H]- 208.09792 147.5
[M+NH4]+ 227.13902 163.6
[M+K]+ 248.06836 150.4
[M+H-H2O]+ 192.10246 140.5
[M+HCOO]- 254.10340 167.0
[M+CH3COO]- 268.11905 186.6
[M+Na-2H]- 230.07987 148.8
[M]+ 209.10465 145.5
[M]- 209.10575 145.5
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