CID 3016036

Methyl 2-(dimethylamino)-2-phenylbutyrate

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCC(C1=CC=CC=C1)(C(=O)OC)N(C)C
InChI
InChI=1S/C13H19NO2/c1-5-13(14(2)3,12(15)16-4)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3
InChIKey
FFMPNRLNKDYDJN-UHFFFAOYSA-N
Compound name
methyl 2-(dimethylamino)-2-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

221.14159 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 151.5
[M+Na]+ 244.13081 157.0
[M-H]- 220.13431 156.2
[M+NH4]+ 239.17541 170.2
[M+K]+ 260.10475 156.9
[M+H-H2O]+ 204.13885 145.1
[M+HCOO]- 266.13979 174.4
[M+CH3COO]- 280.15544 195.4
[M+Na-2H]- 242.11626 156.7
[M]+ 221.14104 154.4
[M]- 221.14214 154.4
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