CID 3075745

200064-95-5

Structural Information

Molecular Formula
C15H24NO2Si
SMILES
CCOC(=O)C[N+]1(CC2=CC=CC=C2[Si](C1)(C)C)C
InChI
InChI=1S/C15H24NO2Si/c1-5-18-15(17)11-16(2)10-13-8-6-7-9-14(13)19(3,4)12-16/h6-9H,5,10-12H2,1-4H3/q+1
InChIKey
AOPJATIKZGAKDY-UHFFFAOYSA-N
Compound name
ethyl 2-(1,1,3-trimethyl-2,4-dihydro-3,1-benzazasilin-3-ium-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.15762 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.16490 162.4
[M+Na]+ 301.14684 169.8
[M-H]- 277.15034 165.5
[M+NH4]+ 296.19144 183.0
[M+K]+ 317.12078 161.5
[M+H-H2O]+ 261.15488 158.7
[M+HCOO]- 323.15582 179.4
[M+CH3COO]- 337.17147 191.3
[M+Na-2H]- 299.13229 170.0
[M]+ 278.15707 162.4
[M]- 278.15817 162.4
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.