CID 12394815

84147-08-0

Structural Information

Molecular Formula

C₇H₁₂N₂S

SMILES

C1CCC2C(C1)N=C(S2)N

InChI

InChI=1S/C7H12N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h5-6H,1-4H2,(H2,8,9)

InChIKey

YNLKURISMZATTF-UHFFFAOYSA-N

Compound name

3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 156.07211 Da
Monoisotopic Mass: 1.1
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]+	157.07939	130.2
[M+Na]+	179.06133	139.7
[M+NH4]+	174.10593	140.4
[M+K]+	195.03527	133.5
[M-H]-	155.06483	132.8
[M+Na-2H]-	177.04678	134.1
[M]+	156.07156	132.5
[M]-	156.07266	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe