CID 18046

2933-29-1

Structural Information

Molecular Formula

C₇H₁₀N₂S

SMILES

C1CCC2=C(C1)N=C(S2)N

InChI

InChI=1S/C7H10N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H2,(H2,8,9)

InChIKey

SMWAOXCEPHEGFV-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 604
Patents: 154.05647 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]+	155.06375	128.7
[M+Na]+	177.04569	139.3
[M+NH4]+	172.09029	139.0
[M+K]+	193.01963	132.8
[M-H]-	153.04919	131.5
[M+Na-2H]-	175.03114	133.6
[M]+	154.05592	131.3
[M]-	154.05702	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe