CID 104401

Iodomethyl pivalate

Structural Information

Molecular Formula

C₆H₁₁IO₂

SMILES

CC(C)(C)C(=O)OCI

InChI

InChI=1S/C6H11IO2/c1-6(2,3)5(8)9-4-7/h4H2,1-3H3

InChIKey

PELJISAVHGXLAL-UHFFFAOYSA-N

Compound name

iodomethyl 2,2-dimethylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2052
Patents: 241.98038 Da
Monoisotopic Mass: 2.3
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]+	242.98766	137.1
[M+Na]+	264.96960	139.4
[M+NH4]+	260.01420	140.2
[M+K]+	280.94354	138.5
[M-H]-	240.97310	129.4
[M+Na-2H]-	262.95505	127.9
[M]+	241.97983	134.0
[M]-	241.98093	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe