CID 82387179

(6-bromo-3,4-dihydro-2h-1-benzopyran-4-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C10H12BrNO
SMILES
C1COC2=C(C1CN)C=C(C=C2)Br
InChI
InChI=1S/C10H12BrNO/c11-8-1-2-10-9(5-8)7(6-12)3-4-13-10/h1-2,5,7H,3-4,6,12H2
InChIKey
SXWOKBKCYYPNFO-UHFFFAOYSA-N
Compound name
(6-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.01022 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01750 146.8
[M+Na]+ 263.99944 156.9
[M-H]- 240.00294 153.6
[M+NH4]+ 259.04404 167.3
[M+K]+ 279.97338 146.7
[M+H-H2O]+ 224.00748 146.4
[M+HCOO]- 286.00842 165.1
[M+CH3COO]- 300.02407 190.8
[M+Na-2H]- 261.98489 154.8
[M]+ 241.00967 162.7
[M]- 241.01077 162.7
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.