CID 43146558

4-(4-bromophenyl)oxan-4-amine

Structural Information

Molecular Formula
C11H14BrNO
SMILES
C1COCCC1(C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)11(13)5-7-14-8-6-11/h1-4H,5-8,13H2
InChIKey
SNAASDIFHZQJTQ-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

255.02588 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03316 150.6
[M+Na]+ 278.01510 159.3
[M-H]- 254.01860 159.3
[M+NH4]+ 273.05970 170.9
[M+K]+ 293.98904 149.4
[M+H-H2O]+ 238.02314 150.2
[M+HCOO]- 300.02408 168.9
[M+CH3COO]- 314.03973 164.4
[M+Na-2H]- 276.00055 158.3
[M]+ 255.02533 164.4
[M]- 255.02643 164.4
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

patents stripe