CID 16795413

17899-51-3

Structural Information

Molecular Formula

C₉H₁₅N₃S

SMILES

CC(C)N1CCC2=C(C1)SC(=N2)N

InChI

InChI=1S/C9H15N3S/c1-6(2)12-4-3-7-8(5-12)13-9(10)11-7/h6H,3-5H2,1-2H3,(H2,10,11)

InChIKey

BXIPZMYZBYKUBQ-UHFFFAOYSA-N

Compound name

5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 197.09866 Da
Monoisotopic Mass: 1.3
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]+	198.10594	142.4
[M+Na]+	220.08788	150.5
[M-H]-	196.09138	143.9
[M+NH4]+	215.13248	162.5
[M+K]+	236.06182	147.6
[M+H-H2O]+	180.09592	136.0
[M+HCOO]-	242.09686	156.4
[M+CH3COO]-	256.11251	154.5
[M+Na-2H]-	218.07333	143.1
[M]+	197.09811	141.1
[M]-	197.09921	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe