CID 56653693

Sodium mannuronate methylsilanol

Structural Information

Molecular Formula
C7H12O7Si
SMILES
C[Si]O[C@H](C=O)[C@H]([C@@H]([C@@H](C(=O)O)O)O)O
InChI
InChI=1S/C7H12O7Si/c1-15-14-3(2-8)4(9)5(10)6(11)7(12)13/h2-6,9-11H,1H3,(H,12,13)/t3-,4-,5+,6+/m1/s1
InChIKey
OESDRMPECZZZGC-ZXXMMSQZSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

236.03523 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.04251 148.4
[M+Na]+ 259.02445 151.9
[M-H]- 235.02795 142.6
[M+NH4]+ 254.06905 162.9
[M+K]+ 274.99839 152.6
[M+H-H2O]+ 219.03249 143.2
[M+HCOO]- 281.03343 162.4
[M+CH3COO]- 295.04908 180.7
[M+Na-2H]- 257.00990 146.0
[M]+ 236.03468 148.2
[M]- 236.03578 148.2
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

No patent data available for this compound.