CID 71587401

Methylsilanol acetylmethionate

Structural Information

Molecular Formula
C8H17NO5SSi
SMILES
CC(=O)N[C@@H](CCSC)C(=O)O[Si](C)(O)O
InChI
InChI=1S/C8H17NO5SSi/c1-6(10)9-7(4-5-15-2)8(11)14-16(3,12)13/h7,12-13H,4-5H2,1-3H3,(H,9,10)/t7-/m0/s1
InChIKey
VXJKPSZEZMCROY-ZETCQYMHSA-N
Compound name
[dihydroxy(methyl)silyl] (2S)-2-acetamido-4-methylsulfanylbutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

311
Patents

267.05966 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06694 158.7
[M+Na]+ 290.04888 162.2
[M-H]- 266.05238 155.4
[M+NH4]+ 285.09348 174.0
[M+K]+ 306.02282 161.3
[M+H-H2O]+ 250.05692 153.0
[M+HCOO]- 312.05786 170.7
[M+CH3COO]- 326.07351 189.9
[M+Na-2H]- 288.03433 157.9
[M]+ 267.05911 161.5
[M]- 267.06021 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe