CID 610214

447412-24-0

Structural Information

Molecular Formula

C₁₁H₁₄N₂OS

SMILES

CC1(C2=C(C(O1)(C)C)SC(=C2C#N)N)C

InChI

InChI=1S/C11H14N2OS/c1-10(2)7-6(5-12)9(13)15-8(7)11(3,4)14-10/h13H2,1-4H3

InChIKey

MOKRFKOKZIASDJ-UHFFFAOYSA-N

Compound name

2-amino-4,4,6,6-tetramethylthieno[2,3-c]furan-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 222.08269 Da
Monoisotopic Mass: 2.0
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]+	223.08997	149.5
[M+Na]+	245.07191	164.1
[M-H]-	221.07541	155.5
[M+NH4]+	240.11651	173.8
[M+K]+	261.04585	159.4
[M+H-H2O]+	205.07995	140.6
[M+HCOO]-	267.08089	164.8
[M+CH3COO]-	281.09654	201.7
[M+Na-2H]-	243.05736	152.2
[M]+	222.08214	149.1
[M]-	222.08324	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe