CID 10333223

(4s,5s)-2-allyl-2-chloro-3,4-dimethyl-5-phenyl-1-oxa-3-aza-2-silacyclopentane

Structural Information

Molecular Formula
C13H18ClNOSi
SMILES
C[C@H]1[C@@H](O[Si](N1C)(CC=C)Cl)C2=CC=CC=C2
InChI
InChI=1S/C13H18ClNOSi/c1-4-10-17(14)15(3)11(2)13(16-17)12-8-6-5-7-9-12/h4-9,11,13H,1,10H2,2-3H3/t11-,13+,17?/m0/s1
InChIKey
XHCRAANIMMYPDV-APBZJUGRSA-N
Compound name
(4S,5S)-2-chloro-3,4-dimethyl-5-phenyl-2-prop-2-enyl-1,3,2-oxazasilolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

267.08463 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09191 158.0
[M+Na]+ 290.07385 167.3
[M-H]- 266.07735 163.9
[M+NH4]+ 285.11845 177.5
[M+K]+ 306.04779 163.1
[M+H-H2O]+ 250.08189 151.9
[M+HCOO]- 312.08283 173.7
[M+CH3COO]- 326.09848 193.3
[M+Na-2H]- 288.05930 160.7
[M]+ 267.08408 160.2
[M]- 267.08518 160.2
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

patents stripe