CID 89269003

(3-iodopropyl)cyclopropane

Structural Information

Molecular Formula

C₆H₁₁I

SMILES

C1CC1CCCI

InChI

InChI=1S/C6H11I/c7-5-1-2-6-3-4-6/h6H,1-5H2

InChIKey

VVWFXXSZVSSHHH-UHFFFAOYSA-N

Compound name

3-iodopropylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 209.99055 Da
Monoisotopic Mass: 3.7
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]+	210.997826	129.3
[M+Na]+	232.979768	131.4
[M-H]-	208.983274	127.3
[M+NH4]+	228.024373	143.0
[M+K]+	248.953708	135.5
[M+H-H2O]+	192.987810	120.3
[M+HCOO]-	254.988751	148.3
[M+CH3COO]-	269.004401	181.4
[M+Na-2H]-	230.965216	124.9
[M]+	209.99000142	129.3
[M]-	209.99109858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe