CID 87619

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

Structural Information

Molecular Formula
C8H18O2Si
SMILES
CC(=O)OCCC[Si](C)(C)C
InChI
InChI=1S/C8H18O2Si/c1-8(9)10-6-5-7-11(2,3)4/h5-7H2,1-4H3
InChIKey
XVHIVCBIAKEVLK-UHFFFAOYSA-N
Compound name
3-trimethylsilylpropyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

174.1076 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11488 139.0
[M+Na]+ 197.09682 145.6
[M-H]- 173.10032 139.1
[M+NH4]+ 192.14142 160.3
[M+K]+ 213.07076 145.8
[M+H-H2O]+ 157.10486 134.7
[M+HCOO]- 219.10580 159.9
[M+CH3COO]- 233.12145 180.0
[M+Na-2H]- 195.08227 143.9
[M]+ 174.10705 142.5
[M]- 174.10815 142.5
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