CID 58887

101779-22-0

Structural Information

Molecular Formula
C18H29NO3
SMILES
CCCC(C(C1=CC=CC=C1)C(=O)OCCN(CC)CC)O
InChI
InChI=1S/C18H29NO3/c1-4-10-16(20)17(15-11-8-7-9-12-15)18(21)22-14-13-19(5-2)6-3/h7-9,11-12,16-17,20H,4-6,10,13-14H2,1-3H3
InChIKey
JSWYFCQVTWETCC-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-hydroxy-2-phenylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.21475 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.22203 179.6
[M+Na]+ 330.20397 181.4
[M-H]- 306.20747 181.7
[M+NH4]+ 325.24857 193.7
[M+K]+ 346.17791 180.3
[M+H-H2O]+ 290.21201 171.7
[M+HCOO]- 352.21295 199.0
[M+CH3COO]- 366.22860 211.2
[M+Na-2H]- 328.18942 178.2
[M]+ 307.21420 183.0
[M]- 307.21530 183.0
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.