CID 362521

Chloromethylsilatrane

Structural Information

Molecular Formula
C7H14ClNO3Si
SMILES
C1CO[Si]2(OCCN1CCO2)CCl
InChI
InChI=1S/C7H14ClNO3Si/c8-7-13-10-4-1-9(2-5-11-13)3-6-12-13/h1-7H2
InChIKey
METVSRFIOHSNJX-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

124
Patents

223.04315 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05043 114.7
[M+Na]+ 246.03237 114.8
[M-H]- 222.03587 114.7
[M+NH4]+ 241.07697 114.7
[M+K]+ 262.00631 114.8
[M+H-H2O]+ 206.04041 114.6
[M+HCOO]- 268.04135 114.7
[M+CH3COO]- 282.05700 114.6
[M+Na-2H]- 244.01782 114.5
[M]+ 223.04260 114.7
[M]- 223.04370 114.7
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