CID 4424992

92015-14-0

Structural Information

Molecular Formula

C₁₀H₁₃IO₂

SMILES

CC1=C(C(=C(C=C1OC)I)OC)C

InChI

InChI=1S/C10H13IO2/c1-6-7(2)10(13-4)8(11)5-9(6)12-3/h5H,1-4H3

InChIKey

ANSFSWBTSTURGS-UHFFFAOYSA-N

Compound name

1-iodo-2,5-dimethoxy-3,4-dimethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 291.99603 Da
Monoisotopic Mass: 3.2
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]+	293.00331	146.4
[M+Na]+	314.98525	149.6
[M-H]-	290.98875	144.1
[M+NH4]+	310.02985	162.4
[M+K]+	330.95919	154.2
[M+H-H2O]+	274.99329	137.6
[M+HCOO]-	336.99423	165.6
[M+CH3COO]-	351.00988	194.1
[M+Na-2H]-	312.97070	138.9
[M]+	291.99548	148.4
[M]-	291.99658	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe