CID 75481407

1-(2-amino-1,3-thiazol-5-yl)cyclohexan-1-ol

Structural Information

Molecular Formula
C9H14N2OS
SMILES
C1CCC(CC1)(C2=CN=C(S2)N)O
InChI
InChI=1S/C9H14N2OS/c10-8-11-6-7(13-8)9(12)4-2-1-3-5-9/h6,12H,1-5H2,(H2,10,11)
InChIKey
ZZVUYAJMCLZPFK-UHFFFAOYSA-N
Compound name
1-(2-amino-1,3-thiazol-5-yl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

198.08269 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.089966 141.3
[M+Na]+ 221.071908 148.0
[M-H]- 197.075414 144.7
[M+NH4]+ 216.116513 162.2
[M+K]+ 237.045848 144.6
[M+H-H2O]+ 181.079950 135.4
[M+HCOO]- 243.080891 156.6
[M+CH3COO]- 257.096541 153.2
[M+Na-2H]- 219.057356 143.2
[M]+ 198.08214142 136.8
[M]- 198.08323858 136.8
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

patents stripe