CID 3060939

78372-10-8

Structural Information

Molecular Formula
C19H31NO3
SMILES
CCC(C)C(C1=CC=CC=C1)(C(=O)OCCCN(CC)CC)O
InChI
InChI=1S/C19H31NO3/c1-5-16(4)19(22,17-12-9-8-10-13-17)18(21)23-15-11-14-20(6-2)7-3/h8-10,12-13,16,22H,5-7,11,14-15H2,1-4H3
InChIKey
ORVMCGBRZINKBC-UHFFFAOYSA-N
Compound name
3-(diethylamino)propyl 2-hydroxy-3-methyl-2-phenylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.2304 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.23768 182.8
[M+Na]+ 344.21962 184.9
[M-H]- 320.22312 184.9
[M+NH4]+ 339.26422 196.5
[M+K]+ 360.19356 183.6
[M+H-H2O]+ 304.22766 175.3
[M+HCOO]- 366.22860 201.4
[M+CH3COO]- 380.24425 213.6
[M+Na-2H]- 342.20507 183.1
[M]+ 321.22985 186.8
[M]- 321.23095 186.8
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

No patent data available for this compound.