CID 39358

Silicon triethanolamine

Structural Information

Molecular Formula
C8H19NO3Si
SMILES
C[Si]1(OCCN(CCO1)CCO)C
InChI
InChI=1S/C8H19NO3Si/c1-13(2)11-7-4-9(3-6-10)5-8-12-13/h10H,3-8H2,1-2H3
InChIKey
NSYDOBYFTHLPFM-UHFFFAOYSA-N
Compound name
2-(2,2-dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

976
Patents

205.11342 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.12070 153.0
[M+Na]+ 228.10264 157.3
[M-H]- 204.10614 154.0
[M+NH4]+ 223.14724 160.7
[M+K]+ 244.07658 159.0
[M+H-H2O]+ 188.11068 149.4
[M+HCOO]- 250.11162 160.0
[M+CH3COO]- 264.12727 220.5
[M+Na-2H]- 226.08809 153.9
[M]+ 205.11287 152.6
[M]- 205.11397 152.6
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

patents stripe