CID 3086116

80149-80-0

Structural Information

Molecular Formula

C₁₂H₁₇NO₅Si

SMILES

C[Si](C)(C)CCOC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H17NO5Si/c1-19(2,3)9-8-17-12(14)18-11-6-4-10(5-7-11)13(15)16/h4-7H,8-9H2,1-3H3

InChIKey

ZAQWGGKIMQIVGM-UHFFFAOYSA-N

Compound name

(4-nitrophenyl) 2-trimethylsilylethyl carbonate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 535
Patents: 283.0876 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	284.094876	161.8
[M+Na]+	306.076818	167.5
[M-H]-	282.080324	165.3
[M+NH4]+	301.121423	177.5
[M+K]+	322.050758	162.9
[M+H-H2O]+	266.084860	160.0
[M+HCOO]-	328.085801	184.5
[M+CH3COO]-	342.101451	190.7
[M+Na-2H]-	304.062266	168.3
[M]+	283.08705142	164.7
[M]-	283.08814858	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe