CID 82976015

3-[2-(1-aminoethyl)-5-bromophenoxy]propan-1-ol

Structural Information

Molecular Formula
C11H16BrNO2
SMILES
CC(C1=C(C=C(C=C1)Br)OCCCO)N
InChI
InChI=1S/C11H16BrNO2/c1-8(13)10-4-3-9(12)7-11(10)15-6-2-5-14/h3-4,7-8,14H,2,5-6,13H2,1H3
InChIKey
BSLSIYITSJPYPE-UHFFFAOYSA-N
Compound name
3-[2-(1-aminoethyl)-5-bromophenoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.03644 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.04372 155.5
[M+Na]+ 296.02566 165.0
[M-H]- 272.02916 159.7
[M+NH4]+ 291.07026 174.3
[M+K]+ 311.99960 153.3
[M+H-H2O]+ 256.03370 154.4
[M+HCOO]- 318.03464 174.9
[M+CH3COO]- 332.05029 195.8
[M+Na-2H]- 294.01111 159.3
[M]+ 273.03589 173.7
[M]- 273.03699 173.7
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.