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]+ 272.064476 157.2
[M+Na]+ 294.046418 166.1
[M-H]- 270.049924 162.3
[M+NH4]+ 289.091023 176.6
[M+K]+ 310.020358 154.5
[M+H-H2O]+ 254.054460 155.9
[M+HCOO]- 316.055401 177.6
[M+CH3COO]- 330.071051 198.0
[M+Na-2H]- 292.031866 161.7
[M]+ 271.05665142 175.9
[M]- 271.05774858 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.