CID 4274577

184839-20-1

Structural Information

Molecular Formula

C₈H₁₄N₂S

SMILES

CC(C)(C)C1=CSC(=N1)CN

InChI

InChI=1S/C8H14N2S/c1-8(2,3)6-5-11-7(4-9)10-6/h5H,4,9H2,1-3H3

InChIKey

COFQRTLOIPDNTM-UHFFFAOYSA-N

Compound name

(4-tert-butyl-1,3-thiazol-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 170.08777 Da
Monoisotopic Mass: 1.6
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]+	171.09505	137.7
[M+Na]+	193.07699	146.5
[M-H]-	169.08049	140.2
[M+NH4]+	188.12159	159.3
[M+K]+	209.05093	144.1
[M+H-H2O]+	153.08503	132.1
[M+HCOO]-	215.08597	155.6
[M+CH3COO]-	229.10162	179.8
[M+Na-2H]-	191.06244	139.9
[M]+	170.08722	138.8
[M]-	170.08832	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe