CID 137945404

2287335-43-5

Structural Information

Molecular Formula
C11H14BrNO
SMILES
CC1CNCCC2=CC(=C(C=C12)O)Br
InChI
InChI=1S/C11H14BrNO/c1-7-6-13-3-2-8-4-10(12)11(14)5-9(7)8/h4-5,7,13-14H,2-3,6H2,1H3
InChIKey
KYFGIMMSICOVGW-UHFFFAOYSA-N
Compound name
8-bromo-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.02588 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03316 146.0
[M+Na]+ 278.01510 155.1
[M-H]- 254.01860 150.3
[M+NH4]+ 273.05970 164.4
[M+K]+ 293.98904 147.3
[M+H-H2O]+ 238.02314 146.7
[M+HCOO]- 300.02408 160.4
[M+CH3COO]- 314.03973 158.7
[M+Na-2H]- 276.00055 151.9
[M]+ 255.02533 157.1
[M]- 255.02643 157.1
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.