CID 5275371

Dodecyl-(2,2,7,7-tetramethyl-tetrahydro-bis[1,3]dioxolo[4,5-b

Structural Information

Molecular Formula
C24H45NO5
SMILES
CCCCCCCCCCCCNC[C@@H]1C2C(C3C(O1)OC(O3)(C)C)OC(O2)(C)C
InChI
InChI=1S/C24H45NO5/c1-6-7-8-9-10-11-12-13-14-15-16-25-17-18-19-20(28-23(2,3)27-19)21-22(26-18)30-24(4,5)29-21/h18-22,25H,6-17H2,1-5H3/t18-,19?,20?,21?,22?/m1/s1
InChIKey
FGJWGHXUVBTULB-NMJFEHLSSA-N
Compound name
N-[[(8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]dodecan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

427.32977 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.33705 210.8
[M+Na]+ 450.31899 214.0
[M-H]- 426.32249 216.5
[M+NH4]+ 445.36359 223.5
[M+K]+ 466.29293 215.0
[M+H-H2O]+ 410.32703 207.6
[M+HCOO]- 472.32797 220.5
[M+CH3COO]- 486.34362 233.4
[M+Na-2H]- 448.30444 211.6
[M]+ 427.32922 219.1
[M]- 427.33032 219.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.