CID 12520908

3-(dimethylamino)-3-phenylpropanoic acid hydrochloride

Structural Information

Molecular Formula
C11H15NO2
SMILES
CN(C)C(CC(=O)O)C1=CC=CC=C1
InChI
InChI=1S/C11H15NO2/c1-12(2)10(8-11(13)14)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)
InChIKey
JTKDHNKYUPVADI-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

193.11028 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 143.6
[M+Na]+ 216.09950 148.7
[M-H]- 192.10300 146.9
[M+NH4]+ 211.14410 162.4
[M+K]+ 232.07344 148.1
[M+H-H2O]+ 176.10754 137.2
[M+HCOO]- 238.10848 166.2
[M+CH3COO]- 252.12413 188.0
[M+Na-2H]- 214.08495 147.2
[M]+ 193.10973 143.7
[M]- 193.11083 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe