CID 12105094

3-[(tert-butyldiphenylsilyl)oxy]propanoic acid

Structural Information

Molecular Formula
C19H24O3Si
SMILES
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCCC(=O)O
InChI
InChI=1S/C19H24O3Si/c1-19(2,3)23(22-15-14-18(20)21,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3,(H,20,21)
InChIKey
RPCLRMHYSJYSAG-UHFFFAOYSA-N
Compound name
3-[tert-butyl(diphenyl)silyl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

328.14948 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.15676 177.9
[M+Na]+ 351.13870 182.1
[M-H]- 327.14220 182.4
[M+NH4]+ 346.18330 191.3
[M+K]+ 367.11264 178.7
[M+H-H2O]+ 311.14674 170.4
[M+HCOO]- 373.14768 195.3
[M+CH3COO]- 387.16333 203.8
[M+Na-2H]- 349.12415 182.7
[M]+ 328.14893 179.1
[M]- 328.15003 179.1
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