CID 56762

94439-70-0

Structural Information

Molecular Formula
C19H29NO3
SMILES
CCN(CC)CCOC(=O)C(C)(C1=CC2=C(CCCC2)C=C1)O
InChI
InChI=1S/C19H29NO3/c1-4-20(5-2)12-13-23-18(21)19(3,22)17-11-10-15-8-6-7-9-16(15)14-17/h10-11,14,22H,4-9,12-13H2,1-3H3
InChIKey
XXYZVYWMAGJJQW-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.21475 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.22203 179.0
[M+Na]+ 342.20397 181.4
[M-H]- 318.20747 181.7
[M+NH4]+ 337.24857 193.8
[M+K]+ 358.17791 179.4
[M+H-H2O]+ 302.21201 171.8
[M+HCOO]- 364.21295 195.3
[M+CH3COO]- 378.22860 212.3
[M+Na-2H]- 340.18942 181.4
[M]+ 319.21420 179.8
[M]- 319.21530 179.8
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.