CID 820066

643723-68-6

Structural Information

Molecular Formula
C9H14N2S
SMILES
C1CCC2=C(CC1)SC(=N2)CN
InChI
InChI=1S/C9H14N2S/c10-6-9-11-7-4-2-1-3-5-8(7)12-9/h1-6,10H2
InChIKey
HOXOBYOSXFZYKJ-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.08777 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.09505 137.8
[M+Na]+ 205.07699 143.0
[M-H]- 181.08049 141.4
[M+NH4]+ 200.12159 157.8
[M+K]+ 221.05093 143.8
[M+H-H2O]+ 165.08503 131.7
[M+HCOO]- 227.08597 153.4
[M+CH3COO]- 241.10162 149.5
[M+Na-2H]- 203.06244 139.6
[M]+ 182.08722 132.8
[M]- 182.08832 132.8
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.