CID 13128177

90897-98-6

Structural Information

Molecular Formula

C₇H₁₁IO₂

SMILES

CC1(CC(OC1=O)CI)C

InChI

InChI=1S/C7H11IO2/c1-7(2)3-5(4-8)10-6(7)9/h5H,3-4H2,1-2H3

InChIKey

QNRCAWDIWXOKGB-UHFFFAOYSA-N

Compound name

5-(iodomethyl)-3,3-dimethyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 253.98038 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]+	254.98766	135.9
[M+Na]+	276.96960	137.7
[M-H]-	252.97310	133.6
[M+NH4]+	272.01420	155.0
[M+K]+	292.94354	143.7
[M+H-H2O]+	236.97764	128.8
[M+HCOO]-	298.97858	153.3
[M+CH3COO]-	312.99423	182.9
[M+Na-2H]-	274.95505	129.5
[M]+	253.97983	134.3
[M]-	253.98093	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe