CID 3044547

N-methyl-n-butyldopamine hydrochloride

Structural Information

Molecular Formula
C13H21NO2
SMILES
CCCCN(C)CCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C13H21NO2/c1-3-4-8-14(2)9-7-11-5-6-12(15)13(16)10-11/h5-6,10,15-16H,3-4,7-9H2,1-2H3
InChIKey
CQZHJKYKNYLEQM-UHFFFAOYSA-N
Compound name
4-[2-[butyl(methyl)amino]ethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

223.15723 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 152.9
[M+Na]+ 246.14645 163.7
[M+NH4]+ 241.19105 160.4
[M+K]+ 262.12039 157.6
[M-H]- 222.14995 154.8
[M+Na-2H]- 244.13190 158.0
[M]+ 223.15668 154.8
[M]- 223.15778 154.8
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