CID 100924

1-propanol, 3-(trimethoxysilyl)-, acetate

Structural Information

Molecular Formula
C8H18O5Si
SMILES
CC(=O)OCCC[Si](OC)(OC)OC
InChI
InChI=1S/C8H18O5Si/c1-8(9)13-6-5-7-14(10-2,11-3)12-4/h5-7H2,1-4H3
InChIKey
FZTPAOAMKBXNSH-UHFFFAOYSA-N
Compound name
3-trimethoxysilylpropyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1491
Patents

222.09235 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09963 147.4
[M+Na]+ 245.08157 153.8
[M-H]- 221.08507 147.4
[M+NH4]+ 240.12617 166.5
[M+K]+ 261.05551 155.5
[M+H-H2O]+ 205.08961 142.3
[M+HCOO]- 267.09055 169.1
[M+CH3COO]- 281.10620 185.9
[M+Na-2H]- 243.06702 152.5
[M]+ 222.09180 155.3
[M]- 222.09290 155.3
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