CID 75366

(trimethylsilyl)acetic acid

Structural Information

Molecular Formula
C5H12O2Si
SMILES
C[Si](C)(C)CC(=O)O
InChI
InChI=1S/C5H12O2Si/c1-8(2,3)4-5(6)7/h4H2,1-3H3,(H,6,7)
InChIKey
JDMMZVAKMAONFU-UHFFFAOYSA-N
Compound name
2-trimethylsilylacetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

968
Patents

132.06065 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.067926 125.6
[M+Na]+ 155.049868 132.9
[M-H]- 131.053374 124.8
[M+NH4]+ 150.094473 147.7
[M+K]+ 171.023808 133.0
[M+H-H2O]+ 115.057910 122.1
[M+HCOO]- 177.058851 146.0
[M+CH3COO]- 191.074501 168.8
[M+Na-2H]- 153.035316 131.5
[M]+ 132.06010142 126.1
[M]- 132.06119858 126.1
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