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 156.3
[M+Na]+ 294.01000 166.0
[M-H]- 270.01350 165.3
[M+NH4]+ 289.05460 176.1
[M+K]+ 309.98394 156.1
[M+H-H2O]+ 254.01804 155.5
[M+HCOO]- 316.01898 176.9
[M+CH3COO]- 330.03463 193.8
[M+Na-2H]- 291.99545 160.9
[M]+ 271.02023 173.4
[M]- 271.02133 173.4
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

No patent data available for this compound.