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

16
Patents

170.05139 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05867 130.5
[M+Na]+ 193.04061 136.8
[M-H]- 169.04411 134.3
[M+NH4]+ 188.08521 145.9
[M+K]+ 209.01455 137.1
[M+H-H2O]+ 153.04865 119.6
[M+HCOO]- 215.04959 147.1
[M+CH3COO]- 229.06524 177.8
[M+Na-2H]- 191.02606 133.1
[M]+ 170.05084 137.4
[M]- 170.05194 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