CID 71311304

361456-00-0

Structural Information

Molecular Formula
C12H17N3O3Si
SMILES
C[Si](C)(C)CCOC1=NC(=C(C=C1)[N+](=O)[O-])CC#N
InChI
InChI=1S/C12H17N3O3Si/c1-19(2,3)9-8-18-12-5-4-11(15(16)17)10(14-12)6-7-13/h4-5H,6,8-9H2,1-3H3
InChIKey
ZELXOZMZOFEIFO-UHFFFAOYSA-N
Compound name
2-[3-nitro-6-(2-trimethylsilylethoxy)pyridin-2-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1039 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11118 159.8
[M+Na]+ 302.09312 171.2
[M+NH4]+ 297.13772 162.7
[M+K]+ 318.06706 165.0
[M-H]- 278.09662 154.0
[M+Na-2H]- 300.07857 162.0
[M]+ 279.10335 158.8
[M]- 279.10445 158.8
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.