CID 242172

2-(4-chlorophenyl)-2-(dimethylamino)acetic acid

Structural Information

Molecular Formula
C10H12ClNO2
SMILES
CN(C)C(C1=CC=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C10H12ClNO2/c1-12(2)9(10(13)14)7-3-5-8(11)6-4-7/h3-6,9H,1-2H3,(H,13,14)
InChIKey
MNNZTQAXBCVWKK-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-(dimethylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

127
Patents

213.05565 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06293 143.7
[M+Na]+ 236.04487 151.0
[M-H]- 212.04837 147.5
[M+NH4]+ 231.08947 162.9
[M+K]+ 252.01881 148.7
[M+H-H2O]+ 196.05291 138.7
[M+HCOO]- 258.05385 162.2
[M+CH3COO]- 272.06950 189.9
[M+Na-2H]- 234.03032 146.8
[M]+ 213.05510 146.0
[M]- 213.05620 146.0
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