CID 3044545

N-methyl-n-propyldopamine hydrochloride

Structural Information

Molecular Formula
C12H19NO2
SMILES
CCCN(C)CCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C12H19NO2/c1-3-7-13(2)8-6-10-4-5-11(14)12(15)9-10/h4-5,9,14-15H,3,6-8H2,1-2H3
InChIKey
XCQKYIGPZFSZER-UHFFFAOYSA-N
Compound name
4-[2-[methyl(propyl)amino]ethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

209.14159 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 148.4
[M+Na]+ 232.13081 159.4
[M+NH4]+ 227.17541 156.0
[M+K]+ 248.10475 153.6
[M-H]- 208.13431 150.3
[M+Na-2H]- 230.11626 153.7
[M]+ 209.14104 150.3
[M]- 209.14214 150.3
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

patents stripe