CID 43276

60452-19-9

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]+ 280.190716 168.8
[M+Na]+ 302.172658 172.2
[M-H]- 278.176164 171.6
[M+NH4]+ 297.217263 184.3
[M+K]+ 318.146598 171.6
[M+H-H2O]+ 262.180700 162.0
[M+HCOO]- 324.181641 188.4
[M+CH3COO]- 338.197291 204.7
[M+Na-2H]- 300.158106 170.8
[M]+ 279.18289142 171.7
[M]- 279.18398858 171.7
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.