CID 24847636

C 4238

Structural Information

Molecular Formula
C19H31NO2
SMILES
CCC(C)C(C1=CC=CC=C1)C(=O)OCC(C)(C)CN(C)C
InChI
InChI=1S/C19H31NO2/c1-7-15(2)17(16-11-9-8-10-12-16)18(21)22-14-19(3,4)13-20(5)6/h8-12,15,17H,7,13-14H2,1-6H3
InChIKey
OEDOPLURDWQFDO-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)-2,2-dimethylpropyl] 3-methyl-2-phenylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.23547 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.24275 178.8
[M+Na]+ 328.22469 181.3
[M-H]- 304.22819 182.5
[M+NH4]+ 323.26929 194.0
[M+K]+ 344.19863 180.7
[M+H-H2O]+ 288.23273 171.5
[M+HCOO]- 350.23367 197.7
[M+CH3COO]- 364.24932 215.1
[M+Na-2H]- 326.21014 178.4
[M]+ 305.23492 182.7
[M]- 305.23602 182.7
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.