CID 21057908

612820-70-9

Structural Information

Molecular Formula

C₈H₁₃N₃S

SMILES

C1CC2=C(CC1CN)SC(=N2)N

InChI

InChI=1S/C8H13N3S/c9-4-5-1-2-6-7(3-5)12-8(10)11-6/h5H,1-4,9H2,(H2,10,11)

InChIKey

PCIRPJMDRDNRNE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 183.08302 Da
Monoisotopic Mass: 0.6
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]+	184.090296	135.7
[M+Na]+	206.072238	143.6
[M-H]-	182.075744	138.0
[M+NH4]+	201.116843	157.0
[M+K]+	222.046178	140.0
[M+H-H2O]+	166.080280	129.8
[M+HCOO]-	228.081221	152.7
[M+CH3COO]-	242.096871	148.2
[M+Na-2H]-	204.057686	137.9
[M]+	183.08247142	132.4
[M]-	183.08356858	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe