CID 3106

N,n-di-n-propyldopamine

Structural Information

Molecular Formula
C14H23NO2
SMILES
CCCN(CCC)CCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C14H23NO2/c1-3-8-15(9-4-2)10-7-12-5-6-13(16)14(17)11-12/h5-6,11,16-17H,3-4,7-10H2,1-2H3
InChIKey
LMYSNFBROWBKMB-UHFFFAOYSA-N
Compound name
4-[2-(dipropylamino)ethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

46
References

2231
Patents

237.17288 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.180156 157.8
[M+Na]+ 260.162098 163.2
[M-H]- 236.165604 159.7
[M+NH4]+ 255.206703 174.9
[M+K]+ 276.136038 160.7
[M+H-H2O]+ 220.170140 151.2
[M+HCOO]- 282.171081 179.6
[M+CH3COO]- 296.186731 195.9
[M+Na-2H]- 258.147546 160.3
[M]+ 237.17233142 159.8
[M]- 237.17342858 159.8
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