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

13
Patents

183.08302 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09030 136.1
[M+Na]+ 206.07224 145.1
[M+NH4]+ 201.11684 145.5
[M+K]+ 222.04618 139.4
[M-H]- 182.07574 138.9
[M+Na-2H]- 204.05769 139.8
[M]+ 183.08247 138.3
[M]- 183.08357 138.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe