CID 61810543

1-(3-bromophenyl)-3-propoxypropan-2-amine

Structural Information

Molecular Formula
C12H18BrNO
SMILES
CCCOCC(CC1=CC(=CC=C1)Br)N
InChI
InChI=1S/C12H18BrNO/c1-2-6-15-9-12(14)8-10-4-3-5-11(13)7-10/h3-5,7,12H,2,6,8-9,14H2,1H3
InChIKey
TYAGNABDBKRSQX-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-3-propoxypropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0572 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06448 157.2
[M+Na]+ 294.04642 166.1
[M-H]- 270.04992 162.3
[M+NH4]+ 289.09102 176.6
[M+K]+ 310.02036 154.5
[M+H-H2O]+ 254.05446 155.9
[M+HCOO]- 316.05540 177.6
[M+CH3COO]- 330.07105 198.0
[M+Na-2H]- 292.03187 161.7
[M]+ 271.05665 175.9
[M]- 271.05775 175.9
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.