CID 45880

63978-99-4

Structural Information

Molecular Formula
C11H14BrNO
SMILES
COC1=C2CCCC(C2=C(C=C1)Br)N
InChI
InChI=1S/C11H14BrNO/c1-14-10-6-5-8(12)11-7(10)3-2-4-9(11)13/h5-6,9H,2-4,13H2,1H3
InChIKey
IIMYWWNVBVAORW-UHFFFAOYSA-N
Compound name
8-bromo-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.02588 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.033156 150.1
[M+Na]+ 278.015098 160.6
[M-H]- 254.018604 156.5
[M+NH4]+ 273.059703 171.5
[M+K]+ 293.989038 149.2
[M+H-H2O]+ 238.023140 149.7
[M+HCOO]- 300.024081 168.9
[M+CH3COO]- 314.039731 194.8
[M+Na-2H]- 276.000546 156.2
[M]+ 255.02533142 166.0
[M]- 255.02642858 166.0
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.