CID 12850087

4-(trimethylsilyl)butanoic acid

Structural Information

Molecular Formula

C₇H₁₆O₂Si

SMILES

C[Si](C)(C)CCCC(=O)O

InChI

InChI=1S/C7H16O2Si/c1-10(2,3)6-4-5-7(8)9/h4-6H2,1-3H3,(H,8,9)

InChIKey

SZCGFQALLUBALV-UHFFFAOYSA-N

Compound name

4-trimethylsilylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 54
Patents: 160.09195 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	161.09923	135.0
[M+Na]+	183.08117	141.5
[M-H]-	159.08467	133.9
[M+NH4]+	178.12577	156.0
[M+K]+	199.05511	141.0
[M+H-H2O]+	143.08921	131.1
[M+HCOO]-	205.09015	154.8
[M+CH3COO]-	219.10580	174.9
[M+Na-2H]-	181.06662	139.9
[M]+	160.09140	136.3
[M]-	160.09250	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe