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 165.8
[M+Na]+ 302.09312 173.7
[M-H]- 278.09662 167.3
[M+NH4]+ 297.13772 178.8
[M+K]+ 318.06706 168.0
[M+H-H2O]+ 262.10116 156.1
[M+HCOO]- 324.10210 183.6
[M+CH3COO]- 338.11775 204.4
[M+Na-2H]- 300.07857 171.5
[M]+ 279.10335 162.3
[M]- 279.10445 162.3
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.