CID 315599

2-(dimethylamino)-2-phenylacetic acid hydrochloride

Structural Information

Molecular Formula
C10H13NO2
SMILES
CN(C)C(C1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C10H13NO2/c1-11(2)9(10(12)13)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,13)
InChIKey
MLOBRLOZPSSKKO-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

496
Patents

179.09464 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 138.8
[M+Na]+ 202.08386 144.4
[M-H]- 178.08736 142.4
[M+NH4]+ 197.12846 158.2
[M+K]+ 218.05780 144.1
[M+H-H2O]+ 162.09190 132.6
[M+HCOO]- 224.09284 161.8
[M+CH3COO]- 238.10849 185.0
[M+Na-2H]- 200.06931 143.0
[M]+ 179.09409 138.6
[M]- 179.09519 138.6
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