CID 3059955

77528-57-5

Structural Information

Molecular Formula

C₉H₁₄N₂S

SMILES

CC1=NC2=C(S1)CCCC2CN

InChI

InChI=1S/C9H14N2S/c1-6-11-9-7(5-10)3-2-4-8(9)12-6/h7H,2-5,10H2,1H3

InChIKey

MUMCMYYMLIPEGV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 182.08777 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]+	183.09505	137.7
[M+Na]+	205.07699	148.2
[M+NH4]+	200.12159	147.7
[M+K]+	221.05093	141.5
[M-H]-	181.08049	140.5
[M+Na-2H]-	203.06244	141.8
[M]+	182.08722	140.3
[M]-	182.08832	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe