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]+ 183.05867 136.3
[M+Na]+ 205.04061 142.9
[M-H]- 181.04411 140.5
[M+NH4]+ 200.08521 156.5
[M+K]+ 221.01455 144.0
[M+H-H2O]+ 165.04865 130.6
[M+HCOO]- 227.04959 152.5
[M+CH3COO]- 241.06524 148.6
[M+Na-2H]- 203.02606 138.1
[M]+ 182.05084 132.0
[M]- 182.05194 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