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]+ 256.03316 149.6
[M+Na]+ 278.01510 158.9
[M-H]- 254.01860 156.4
[M+NH4]+ 273.05970 168.7
[M+K]+ 293.98904 148.8
[M+H-H2O]+ 238.02314 149.5
[M+HCOO]- 300.02408 165.2
[M+CH3COO]- 314.03973 163.1
[M+Na-2H]- 276.00055 157.8
[M]+ 255.02533 164.0
[M]- 255.02643 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.