CID 57483168

Schembl4300732

Structural Information

Molecular Formula
C12H15NO6Si
SMILES
CC(=O)N[C@@H](CC1=C(C=C(C=C1)O)[Si]C(O)O)C(=O)O
InChI
InChI=1S/C12H15NO6Si/c1-6(14)13-9(11(16)17)4-7-2-3-8(15)5-10(7)20-12(18)19/h2-3,5,9,12,15,18-19H,4H2,1H3,(H,13,14)(H,16,17)/t9-/m0/s1
InChIKey
PCOGJANCCWRJKM-VIFPVBQESA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

297.06686 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.07414 164.4
[M+Na]+ 320.05608 168.2
[M-H]- 296.05958 162.3
[M+NH4]+ 315.10068 176.6
[M+K]+ 336.03002 166.6
[M+H-H2O]+ 280.06412 158.0
[M+HCOO]- 342.06506 180.1
[M+CH3COO]- 356.08071 195.6
[M+Na-2H]- 318.04153 162.5
[M]+ 297.06631 162.8
[M]- 297.06741 162.8
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.