CID 56530

(p-bromophenoxy)acetic acid 2-(dimethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C12H16BrNO3
SMILES
CN(C)CCOC(=O)COC1=CC=C(C=C1)Br
InChI
InChI=1S/C12H16BrNO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3
InChIKey
CEHBNENJTNPROC-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-(4-bromophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.03137 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.03865 157.9
[M+Na]+ 324.02059 159.5
[M+NH4]+ 319.06519 161.5
[M+K]+ 339.99453 160.1
[M-H]- 300.02409 158.2
[M+Na-2H]- 322.00604 160.4
[M]+ 301.03082 156.9
[M]- 301.03192 156.9
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.