CID 63969029

[(3-bromofuran-2-yl)methyl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C6H8BrNO
SMILES
CNCC1=C(C=CO1)Br
InChI
InChI=1S/C6H8BrNO/c1-8-4-6-5(7)2-3-9-6/h2-3,8H,4H2,1H3
InChIKey
GJDUSFFHDUZJPH-UHFFFAOYSA-N
Compound name
1-(3-bromofuran-2-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.97893 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.986206 133.2
[M+Na]+ 211.968148 145.1
[M-H]- 187.971654 140.4
[M+NH4]+ 207.012753 156.7
[M+K]+ 227.942088 136.0
[M+H-H2O]+ 171.976190 133.4
[M+HCOO]- 233.977131 157.0
[M+CH3COO]- 247.992781 180.9
[M+Na-2H]- 209.953596 141.9
[M]+ 188.97838142 152.7
[M]- 188.97947858 152.7
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

No patent data available for this compound.