CID 13252905

1-iodo-2,3,3-trimethylbutane

Structural Information

Molecular Formula

C₇H₁₅I

SMILES

CC(CI)C(C)(C)C

InChI

InChI=1S/C7H15I/c1-6(5-8)7(2,3)4/h6H,5H2,1-4H3

InChIKey

NWOXPVMWDFLTSI-UHFFFAOYSA-N

Compound name

1-iodo-2,3,3-trimethylbutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.02185 Da
Monoisotopic Mass: 4.0
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]+	227.02913	137.4
[M+Na]+	249.01107	137.4
[M-H]-	225.01457	131.3
[M+NH4]+	244.05567	155.3
[M+K]+	264.98501	143.2
[M+H-H2O]+	209.01911	130.1
[M+HCOO]-	271.02005	153.2
[M+CH3COO]-	285.03570	182.7
[M+Na-2H]-	246.99652	130.6
[M]+	226.02130	135.5
[M]-	226.02240	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.