CID 130407625

3-(4-bromophenyl)oxan-3-amine

Structural Information

Molecular Formula
C11H14BrNO
SMILES
C1CC(COC1)(C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C11H14BrNO/c12-10-4-2-9(3-5-10)11(13)6-1-7-14-8-11/h2-5H,1,6-8,13H2
InChIKey
NDXYGZGIJGJEHF-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)oxan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

255.02588 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.033156 150.6
[M+Na]+ 278.015098 159.3
[M-H]- 254.018604 159.3
[M+NH4]+ 273.059703 170.9
[M+K]+ 293.989038 149.4
[M+H-H2O]+ 238.023140 150.2
[M+HCOO]- 300.024081 168.9
[M+CH3COO]- 314.039731 164.4
[M+Na-2H]- 276.000546 158.3
[M]+ 255.02533142 164.4
[M]- 255.02642858 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