CID 24261847

1017153-61-5

Structural Information

Molecular Formula

C₈H₁₄N₂S

SMILES

CC1=C(SC(=N1)CCCN)C

InChI

InChI=1S/C8H14N2S/c1-6-7(2)11-8(10-6)4-3-5-9/h3-5,9H2,1-2H3

InChIKey

DTBFDCHQTALABK-UHFFFAOYSA-N

Compound name

3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.08777 Da
Monoisotopic Mass: 1.5
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]+	171.095046	135.8
[M+Na]+	193.076988	145.1
[M-H]-	169.080494	138.4
[M+NH4]+	188.121593	157.5
[M+K]+	209.050928	142.2
[M+H-H2O]+	153.085030	129.9
[M+HCOO]-	215.085971	155.2
[M+CH3COO]-	229.101621	181.3
[M+Na-2H]-	191.062436	136.7
[M]+	170.08722142	137.9
[M]-	170.08831858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.