CID 25130828

883195-38-8

Structural Information

Molecular Formula
C8H10N2OS
SMILES
C1CCC(=O)C2=C(C1)N=C(S2)N
InChI
InChI=1S/C8H10N2OS/c9-8-10-5-3-1-2-4-6(11)7(5)12-8/h1-4H2,(H2,9,10)
InChIKey
NFAOGEPIABIIAN-UHFFFAOYSA-N
Compound name
2-amino-4,5,6,7-tetrahydrocyclohepta[d][1,3]thiazol-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

182.05139 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.058666 136.3
[M+Na]+ 205.040608 142.9
[M-H]- 181.044114 140.5
[M+NH4]+ 200.085213 156.5
[M+K]+ 221.014548 144.0
[M+H-H2O]+ 165.048650 130.6
[M+HCOO]- 227.049591 152.5
[M+CH3COO]- 241.065241 148.6
[M+Na-2H]- 203.026056 138.1
[M]+ 182.05084142 132.0
[M]- 182.05193858 132.0
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

patents stripe