CID 24261853

933734-44-2

Structural Information

Molecular Formula
C10H16N2S
SMILES
C1CCC2=C(C1)N=C(S2)CCCN
InChI
InChI=1S/C10H16N2S/c11-7-3-6-10-12-8-4-1-2-5-9(8)13-10/h1-7,11H2
InChIKey
BUVOSWYNESTLTE-UHFFFAOYSA-N
Compound name
3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10342 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11070 141.6
[M+Na]+ 219.09264 148.7
[M-H]- 195.09614 143.9
[M+NH4]+ 214.13724 162.8
[M+K]+ 235.06658 145.2
[M+H-H2O]+ 179.10068 135.5
[M+HCOO]- 241.10162 157.7
[M+CH3COO]- 255.11727 153.8
[M+Na-2H]- 217.07809 143.7
[M]+ 196.10287 140.4
[M]- 196.10397 140.4
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

No patent data available for this compound.