CID 84031537

2-(3-bromophenyl)-2-methylmorpholine

Structural Information

Molecular Formula
C11H14BrNO
SMILES
CC1(CNCCO1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C11H14BrNO/c1-11(8-13-5-6-14-11)9-3-2-4-10(12)7-9/h2-4,7,13H,5-6,8H2,1H3
InChIKey
YYSCFCZHBAPWHT-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-2-methylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.02588 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.033156 149.6
[M+Na]+ 278.015098 158.9
[M-H]- 254.018604 156.4
[M+NH4]+ 273.059703 168.7
[M+K]+ 293.989038 148.8
[M+H-H2O]+ 238.023140 149.5
[M+HCOO]- 300.024081 165.2
[M+CH3COO]- 314.039731 163.1
[M+Na-2H]- 276.000546 157.8
[M]+ 255.02533142 164.0
[M]- 255.02642858 164.0
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.