CID 3044986

Brn 5999573

Structural Information

Molecular Formula
C18H28ClNO5Si
SMILES
CC(C)(C(=O)OCCN1CCO[Si](OCC1)(C)C)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H28ClNO5Si/c1-18(2,25-16-7-5-15(19)6-8-16)17(21)22-12-9-20-10-13-23-26(3,4)24-14-11-20/h5-8H,9-14H2,1-4H3
InChIKey
FOIYDHWQWDYZFF-UHFFFAOYSA-N
Compound name
2-(2,2-dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.14252 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.14980 180.1
[M+Na]+ 424.13174 184.0
[M-H]- 400.13524 182.7
[M+NH4]+ 419.17634 184.8
[M+K]+ 440.10568 184.6
[M+H-H2O]+ 384.13978 175.5
[M+HCOO]- 446.14072 183.9
[M+CH3COO]- 460.15637 236.5
[M+Na-2H]- 422.11719 178.7
[M]+ 401.14197 182.1
[M]- 401.14307 182.1
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.