CID 43276

2-hydroxy-3-methyl-2-phenylbutyric acid, 3-(dimethylamino)propyl ester hydrochloride

Structural Information

Molecular Formula
C16H25NO3
SMILES
CC(C)C(C1=CC=CC=C1)(C(=O)OCCCN(C)C)O
InChI
InChI=1S/C16H25NO3/c1-13(2)16(19,14-9-6-5-7-10-14)15(18)20-12-8-11-17(3)4/h5-7,9-10,13,19H,8,11-12H2,1-4H3
InChIKey
RQXQQOPXEWGMMC-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl 2-hydroxy-3-methyl-2-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.18344 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.19072 168.0
[M+Na]+ 302.17266 176.5
[M+NH4]+ 297.21726 173.9
[M+K]+ 318.14660 172.4
[M-H]- 278.17616 168.3
[M+Na-2H]- 300.15811 172.0
[M]+ 279.18289 169.0
[M]- 279.18399 169.0
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

No patent data available for this compound.