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]+ 197.110696 142.0
[M+Na]+ 219.092638 146.8
[M-H]- 195.096144 145.4
[M+NH4]+ 214.137243 161.5
[M+K]+ 235.066578 147.4
[M+H-H2O]+ 179.100680 135.8
[M+HCOO]- 241.101621 157.3
[M+CH3COO]- 255.117271 153.3
[M+Na-2H]- 217.078086 143.4
[M]+ 196.10287142 137.3
[M]- 196.10396858 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.