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]+ 199.08997 141.5
[M+Na]+ 221.07191 148.0
[M-H]- 197.07541 146.8
[M+NH4]+ 216.11651 159.9
[M+K]+ 237.04585 146.2
[M+H-H2O]+ 181.07995 134.8
[M+HCOO]- 243.08089 157.6
[M+CH3COO]- 257.09654 153.8
[M+Na-2H]- 219.05736 143.1
[M]+ 198.08214 138.9
[M]- 198.08324 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.