CID 43392627

[(6-bromo-1,3-dioxaindan-5-yl)methyl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C9H10BrNO2
SMILES
CNCC1=CC2=C(C=C1Br)OCO2
InChI
InChI=1S/C9H10BrNO2/c1-11-4-6-2-8-9(3-7(6)10)13-5-12-8/h2-3,11H,4-5H2,1H3
InChIKey
JWMVDRRAQCYEHJ-UHFFFAOYSA-N
Compound name
1-(6-bromo-1,3-benzodioxol-5-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.98949 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.99677 147.5
[M+Na]+ 265.97871 150.2
[M+NH4]+ 261.02331 152.8
[M+K]+ 281.95265 152.0
[M-H]- 241.98221 150.7
[M+Na-2H]- 263.96416 148.8
[M]+ 242.98894 147.6
[M]- 242.99004 147.6
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.