CID 5702560

Trimethylsilyl crotonate

Structural Information

Molecular Formula

C₇H₁₄O₂Si

SMILES

C/C=C/C(=O)O[Si](C)(C)C

InChI

InChI=1S/C7H14O2Si/c1-5-6-7(8)9-10(2,3)4/h5-6H,1-4H3/b6-5+

InChIKey

VZRSIPIZCRNSAV-AATRIKPKSA-N

Compound name

trimethylsilyl (E)-but-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 128
Patents: 158.07631 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]+	159.08359	132.6
[M+Na]+	181.06553	140.1
[M-H]-	157.06903	133.1
[M+NH4]+	176.11013	154.6
[M+K]+	197.03947	140.0
[M+H-H2O]+	141.07357	128.7
[M+HCOO]-	203.07451	154.2
[M+CH3COO]-	217.09016	175.3
[M+Na-2H]-	179.05098	138.2
[M]+	158.07576	135.0
[M]-	158.07686	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe