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]+ 256.033156 146.0
[M+Na]+ 278.015098 155.1
[M-H]- 254.018604 150.3
[M+NH4]+ 273.059703 164.4
[M+K]+ 293.989038 147.3
[M+H-H2O]+ 238.023140 146.7
[M+HCOO]- 300.024081 160.4
[M+CH3COO]- 314.039731 158.7
[M+Na-2H]- 276.000546 151.9
[M]+ 255.02533142 157.1
[M]- 255.02642858 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.