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

20
Patents

198.08269 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08997 141.3
[M+Na]+ 221.07191 148.0
[M-H]- 197.07541 144.7
[M+NH4]+ 216.11651 162.2
[M+K]+ 237.04585 144.6
[M+H-H2O]+ 181.07995 135.4
[M+HCOO]- 243.08089 156.6
[M+CH3COO]- 257.09654 153.2
[M+Na-2H]- 219.05736 143.2
[M]+ 198.08214 136.8
[M]- 198.08324 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