CID 519544

2-iodo-3-methylbutane

Structural Information

Molecular Formula

C₅H₁₁I

SMILES

CC(C)C(C)I

InChI

InChI=1S/C5H11I/c1-4(2)5(3)6/h4-5H,1-3H3

InChIKey

PYXUFKGRYMMOIK-UHFFFAOYSA-N

Compound name

2-iodo-3-methylbutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 197.99055 Da
Monoisotopic Mass: 3.1
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]+	198.99783	125.4
[M+Na]+	220.97977	128.8
[M+NH4]+	216.02437	130.1
[M+K]+	236.95371	126.9
[M-H]-	196.98327	119.5
[M+Na-2H]-	218.96522	117.5
[M]+	197.99000	123.0
[M]-	197.99110	123.0

Literature stripe

literature stripe

Patent stripe

patents stripe