CID 132398653

2172078-55-4

Structural Information

Molecular Formula
C9H14N2OS
SMILES
C1CC(COC1)CC2=CN=C(S2)N
InChI
InChI=1S/C9H14N2OS/c10-9-11-5-8(13-9)4-7-2-1-3-12-6-7/h5,7H,1-4,6H2,(H2,10,11)
InChIKey
HVSRXPPJQQRJJV-UHFFFAOYSA-N
Compound name
5-(oxan-3-ylmethyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.08269 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.089966 141.5
[M+Na]+ 221.071908 148.0
[M-H]- 197.075414 146.8
[M+NH4]+ 216.116513 159.9
[M+K]+ 237.045848 146.2
[M+H-H2O]+ 181.079950 134.8
[M+HCOO]- 243.080891 157.6
[M+CH3COO]- 257.096541 153.8
[M+Na-2H]- 219.057356 143.1
[M]+ 198.08214142 138.9
[M]- 198.08323858 138.9
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

No patent data available for this compound.