CID 3020848

2-(dimethylamino)-2-phenylbutyric acid

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCC(C1=CC=CC=C1)(C(=O)O)N(C)C
InChI
InChI=1S/C12H17NO2/c1-4-12(11(14)15,13(2)3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H,14,15)
InChIKey
HORDSXJPSRJTJV-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-2-phenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

207.12593 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 147.1
[M+Na]+ 230.11515 152.5
[M-H]- 206.11865 150.5
[M+NH4]+ 225.15975 165.6
[M+K]+ 246.08909 151.7
[M+H-H2O]+ 190.12319 141.1
[M+HCOO]- 252.12413 168.8
[M+CH3COO]- 266.13978 190.4
[M+Na-2H]- 228.10060 152.3
[M]+ 207.12538 147.8
[M]- 207.12648 147.8
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

patents stripe