CID 12717311

6-[(tert-butyldimethylsilyl)oxy]hexanoic acid

Structural Information

Molecular Formula
C12H26O3Si
SMILES
CC(C)(C)[Si](C)(C)OCCCCCC(=O)O
InChI
InChI=1S/C12H26O3Si/c1-12(2,3)16(4,5)15-10-8-6-7-9-11(13)14/h6-10H2,1-5H3,(H,13,14)
InChIKey
IYFMRXJBXNNNDL-UHFFFAOYSA-N
Compound name
6-[tert-butyl(dimethyl)silyl]oxyhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

246.16512 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.17240 160.2
[M+Na]+ 269.15434 165.1
[M-H]- 245.15784 158.5
[M+NH4]+ 264.19894 177.9
[M+K]+ 285.12828 164.3
[M+H-H2O]+ 229.16238 155.8
[M+HCOO]- 291.16332 177.0
[M+CH3COO]- 305.17897 191.7
[M+Na-2H]- 267.13979 163.5
[M]+ 246.16457 164.3
[M]- 246.16567 164.3
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