CID 87179372

959749-31-6

Structural Information

Molecular Formula

C₈H₁₂N₂OS

SMILES

CC1(C2=C(CCO1)N=C(S2)N)C

InChI

InChI=1S/C8H12N2OS/c1-8(2)6-5(3-4-11-8)10-7(9)12-6/h3-4H2,1-2H3,(H2,9,10)

InChIKey

XEBRXZCBXDTECI-UHFFFAOYSA-N

Compound name

4,4-dimethyl-6,7-dihydropyrano[4,3-d][1,3]thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 184.06703 Da
Monoisotopic Mass: 1.0
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]+	185.07431	135.2
[M+Na]+	207.05625	144.9
[M-H]-	183.05975	139.1
[M+NH4]+	202.10085	157.9
[M+K]+	223.03019	143.4
[M+H-H2O]+	167.06429	130.5
[M+HCOO]-	229.06523	151.3
[M+CH3COO]-	243.08088	149.0
[M+Na-2H]-	205.04170	139.9
[M]+	184.06648	135.9
[M]-	184.06758	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe