CID 3059951

77528-50-8

Structural Information

Molecular Formula

C₈H₁₂N₂S

SMILES

C1CC(C2=C(C1)SC=N2)CN

InChI

InChI=1S/C8H12N2S/c9-4-6-2-1-3-7-8(6)10-5-11-7/h5-6H,1-4,9H2

InChIKey

HALOWOFMAIDLKM-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 168.07211 Da
Monoisotopic Mass: 0.9
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]+	169.07939	133.1
[M+Na]+	191.06133	143.4
[M+NH4]+	186.10593	143.3
[M+K]+	207.03527	136.8
[M-H]-	167.06483	135.9
[M+Na-2H]-	189.04678	137.7
[M]+	168.07156	135.7
[M]-	168.07266	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe