CID 79764

5683-30-7

Structural Information

Molecular Formula
C6H14O2Si
SMILES
C[Si](C)(C)CCC(=O)O
InChI
InChI=1S/C6H14O2Si/c1-9(2,3)5-4-6(7)8/h4-5H2,1-3H3,(H,7,8)
InChIKey
NONFLFDSOSZQHR-UHFFFAOYSA-N
Compound name
3-trimethylsilylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

57
References

4483
Patents

146.07631 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08359 130.3
[M+Na]+ 169.06553 137.2
[M-H]- 145.06903 129.4
[M+NH4]+ 164.11013 151.9
[M+K]+ 185.03947 137.0
[M+H-H2O]+ 129.07357 126.6
[M+HCOO]- 191.07451 150.4
[M+CH3COO]- 205.09016 171.8
[M+Na-2H]- 167.05098 135.7
[M]+ 146.07576 131.2
[M]- 146.07686 131.2
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