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 148.5
[M+Na]+ 232.13081 154.9
[M-H]- 208.13431 150.9
[M+NH4]+ 227.17541 166.8
[M+K]+ 248.10475 152.9
[M+H-H2O]+ 192.13885 142.4
[M+HCOO]- 254.13979 171.1
[M+CH3COO]- 268.15544 189.9
[M+Na-2H]- 230.11626 152.2
[M]+ 209.14104 149.9
[M]- 209.14214 149.9
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