CID 4361972

642078-28-2

Structural Information

Molecular Formula
C10H16N2S
SMILES
C1CCC2=C(CC1)SC(=N2)CCN
InChI
InChI=1S/C10H16N2S/c11-7-6-10-12-8-4-2-1-3-5-9(8)13-10/h1-7,11H2
InChIKey
GMFXZLQUQSPZCK-UHFFFAOYSA-N
Compound name
2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10342 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11070 142.0
[M+Na]+ 219.09264 146.8
[M-H]- 195.09614 145.4
[M+NH4]+ 214.13724 161.5
[M+K]+ 235.06658 147.4
[M+H-H2O]+ 179.10068 135.8
[M+HCOO]- 241.10162 157.3
[M+CH3COO]- 255.11727 153.3
[M+Na-2H]- 217.07809 143.4
[M]+ 196.10287 137.3
[M]- 196.10397 137.3
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

No patent data available for this compound.