CID 22731376

474461-19-3

Structural Information

Molecular Formula
C7H10N2OS
SMILES
C1CC(C1)(C2=CN=C(S2)N)O
InChI
InChI=1S/C7H10N2OS/c8-6-9-4-5(11-6)7(10)2-1-3-7/h4,10H,1-3H2,(H2,8,9)
InChIKey
SAIKUHHTEDORHO-UHFFFAOYSA-N
Compound name
1-(2-amino-1,3-thiazol-5-yl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

170.05139 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.058666 130.5
[M+Na]+ 193.040608 136.8
[M-H]- 169.044114 134.3
[M+NH4]+ 188.085213 145.9
[M+K]+ 209.014548 137.1
[M+H-H2O]+ 153.048650 119.6
[M+HCOO]- 215.049591 147.1
[M+CH3COO]- 229.065241 177.8
[M+Na-2H]- 191.026056 133.1
[M]+ 170.05084142 137.4
[M]- 170.05193858 137.4
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