CID 3059953

77528-52-0

Structural Information

Molecular Formula

C₉H₁₄N₂S

SMILES

CNCC1CCCC2=C1N=CS2

InChI

InChI=1S/C9H14N2S/c1-10-5-7-3-2-4-8-9(7)11-6-12-8/h6-7,10H,2-5H2,1H3

InChIKey

YNODPVUCUARLIY-UHFFFAOYSA-N

Compound name

N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 182.08777 Da
Monoisotopic Mass: 1.4
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]+	183.09505	137.7
[M+Na]+	205.07699	148.1
[M+NH4]+	200.12159	147.8
[M+K]+	221.05093	140.9
[M-H]-	181.08049	140.6
[M+Na-2H]-	203.06244	142.5
[M]+	182.08722	140.3
[M]-	182.08832	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe