CID 75660

2526-62-7

Structural Information

Molecular Formula

C₆H₁₃NO₃Si

SMILES

CO[Si](CCC#N)(OC)OC

InChI

InChI=1S/C6H13NO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4,6H2,1-3H3

InChIKey

KVUMYOWDFZAGPN-UHFFFAOYSA-N

Compound name

3-trimethoxysilylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2214
Patents: 175.06647 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]+	176.07375	132.9
[M+Na]+	198.05569	141.7
[M-H]-	174.05919	133.8
[M+NH4]+	193.10029	151.9
[M+K]+	214.02963	142.9
[M+H-H2O]+	158.06373	121.8
[M+HCOO]-	220.06467	152.3
[M+CH3COO]-	234.08032	190.5
[M+Na-2H]-	196.04114	139.9
[M]+	175.06592	133.0
[M]-	175.06702	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe