CID 6410776

(2-(triethoxysilyl)ethyl)imidazole

Structural Information

Molecular Formula
C11H22IN2O4S
SMILES
CCOS[I-](OCC)(OCC)OCCC1=NCC=N1
InChI
InChI=1S/C11H22IN2O4S/c1-4-15-12(16-5-2,19-18-6-3)17-10-7-11-13-8-9-14-11/h8H,4-7,9-10H2,1-3H3/q-1
InChIKey
WTPDEBNNQNYCQD-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.0345 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.04178 183.8
[M+Na]+ 428.02372 182.6
[M-H]- 404.02722 176.0
[M+NH4]+ 423.06832 193.3
[M+K]+ 443.99766 187.0
[M+H-H2O]+ 388.03176 174.5
[M+HCOO]- 450.03270 194.2
[M+CH3COO]- 464.04835 202.6
[M+Na-2H]- 426.00917 172.7
[M]+ 405.03395 187.4
[M]- 405.03505 187.4
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.