CID 61556543

5-bromo-2-[(oxolan-3-yl)methoxy]aniline

Structural Information

Molecular Formula
C11H14BrNO2
SMILES
C1COCC1COC2=C(C=C(C=C2)Br)N
InChI
InChI=1S/C11H14BrNO2/c12-9-1-2-11(10(13)5-9)15-7-8-3-4-14-6-8/h1-2,5,8H,3-4,6-7,13H2
InChIKey
DMIKMNVFLVMOGW-UHFFFAOYSA-N
Compound name
5-bromo-2-(oxolan-3-ylmethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.02078 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.02806 157.4
[M+Na]+ 294.01000 159.2
[M+NH4]+ 289.05460 162.2
[M+K]+ 309.98394 160.6
[M-H]- 270.01350 160.5
[M+Na-2H]- 291.99545 159.7
[M]+ 271.02023 157.2
[M]- 271.02133 157.2
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.