CID 52822

73954-29-7

Structural Information

Molecular Formula
C18H31ClNOSi
SMILES
CC[N+](C)(CC)CCO[Si]1(CCCCC1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H31ClNOSi/c1-4-20(3,5-2)13-14-21-22(15-7-6-8-16-22)18-11-9-17(19)10-12-18/h9-12H,4-8,13-16H2,1-3H3/q+1
InChIKey
NNZKJWCTQSOQTP-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorophenyl)silinan-1-yl]oxyethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.18634 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.19362 181.7
[M+Na]+ 363.17556 185.2
[M-H]- 339.17906 188.0
[M+NH4]+ 358.22016 198.7
[M+K]+ 379.14950 175.4
[M+H-H2O]+ 323.18360 177.3
[M+HCOO]- 385.18454 196.1
[M+CH3COO]- 399.20019 205.9
[M+Na-2H]- 361.16101 187.5
[M]+ 340.18579 181.5
[M]- 340.18689 181.5
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.