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 147.6
[M+Na]+ 265.97871 159.3
[M-H]- 241.98221 156.0
[M+NH4]+ 261.02331 168.8
[M+K]+ 281.95265 150.8
[M+H-H2O]+ 225.98675 147.9
[M+HCOO]- 287.98769 168.2
[M+CH3COO]- 302.00334 190.3
[M+Na-2H]- 263.96416 156.4
[M]+ 242.98894 168.0
[M]- 242.99004 168.0
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.