CID 17931257

4-(1,3-thiazol-2-yl)butan-1-amine dihydrochloride

Structural Information

Molecular Formula

C₇H₁₂N₂S

SMILES

C1=CSC(=N1)CCCCN

InChI

InChI=1S/C7H12N2S/c8-4-2-1-3-7-9-5-6-10-7/h5-6H,1-4,8H2

InChIKey

SYQVPTTZKGJDGY-UHFFFAOYSA-N

Compound name

4-(1,3-thiazol-2-yl)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 156.07211 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]+	157.07939	132.5
[M+Na]+	179.06133	142.4
[M+NH4]+	174.10593	141.5
[M+K]+	195.03527	135.8
[M-H]-	155.06483	134.4
[M+Na-2H]-	177.04678	137.6
[M]+	156.07156	134.7
[M]-	156.07266	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe