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]+ 183.095046 137.8
[M+Na]+ 205.076988 143.0
[M-H]- 181.080494 141.4
[M+NH4]+ 200.121593 157.8
[M+K]+ 221.050928 143.8
[M+H-H2O]+ 165.085030 131.7
[M+HCOO]- 227.085971 153.4
[M+CH3COO]- 241.101621 149.5
[M+Na-2H]- 203.062436 139.6
[M]+ 182.08722142 132.8
[M]- 182.08831858 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.