CID 43512619

6-bromo-n-methyl-3,4-dihydro-2h-1-benzopyran-4-amine hydrochloride

Structural Information

Molecular Formula
C10H12BrNO
SMILES
CNC1CCOC2=C1C=C(C=C2)Br
InChI
InChI=1S/C10H12BrNO/c1-12-9-4-5-13-10-3-2-7(11)6-8(9)10/h2-3,6,9,12H,4-5H2,1H3
InChIKey
CDYBISOIWYTNHD-UHFFFAOYSA-N
Compound name
6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.01022 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01750 145.7
[M+Na]+ 263.99944 155.9
[M-H]- 240.00294 153.1
[M+NH4]+ 259.04404 166.5
[M+K]+ 279.97338 146.0
[M+H-H2O]+ 224.00748 145.4
[M+HCOO]- 286.00842 164.7
[M+CH3COO]- 300.02407 191.4
[M+Na-2H]- 261.98489 154.8
[M]+ 241.00967 162.6
[M]- 241.01077 162.6
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.