CID 3066059

109461-29-2

Structural Information

Molecular Formula
C14H20BrNO
SMILES
CC(C)N1CCOC(C1)(C)C2=CC=C(C=C2)Br
InChI
InChI=1S/C14H20BrNO/c1-11(2)16-8-9-17-14(3,10-16)12-4-6-13(15)7-5-12/h4-7,11H,8-10H2,1-3H3
InChIKey
PEAWLJJBROTGEF-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-2-methyl-4-propan-2-ylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0728 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08008 161.9
[M+Na]+ 320.06202 171.1
[M-H]- 296.06552 169.9
[M+NH4]+ 315.10662 180.4
[M+K]+ 336.03596 161.6
[M+H-H2O]+ 280.07006 161.3
[M+HCOO]- 342.07100 177.0
[M+CH3COO]- 356.08665 199.6
[M+Na-2H]- 318.04747 167.2
[M]+ 297.07225 178.8
[M]- 297.07335 178.8
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.