CID 3073107

(1r)-n,n-diethylglycine 2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl ester

Structural Information

Molecular Formula
C17H29NO2
SMILES
CCN(CC)CC(=O)OCCC1=CCC2C[C@@H]1C2(C)C
InChI
InChI=1S/C17H29NO2/c1-5-18(6-2)12-16(19)20-10-9-13-7-8-14-11-15(13)17(14,3)4/h7,14-15H,5-6,8-12H2,1-4H3/t14?,15-/m0/s1
InChIKey
JZBAVUGRZMOMBU-LOACHALJSA-N
Compound name
2-[(1R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl 2-(diethylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.21982 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.22710 185.4
[M+Na]+ 302.20904 187.7
[M-H]- 278.21254 184.7
[M+NH4]+ 297.25364 201.3
[M+K]+ 318.18298 189.4
[M+H-H2O]+ 262.21708 175.2
[M+HCOO]- 324.21802 198.0
[M+CH3COO]- 338.23367 215.5
[M+Na-2H]- 300.19449 189.7
[M]+ 279.21927 201.0
[M]- 279.22037 201.0
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.