CID 130975961

2173998-74-6

Structural Information

Molecular Formula
C8H12N2OS
SMILES
C1COCC1CC2=CN=C(S2)N
InChI
InChI=1S/C8H12N2OS/c9-8-10-4-7(12-8)3-6-1-2-11-5-6/h4,6H,1-3,5H2,(H2,9,10)
InChIKey
PTVROKUTZJDCNF-UHFFFAOYSA-N
Compound name
5-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06703 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.074306 138.0
[M+Na]+ 207.056248 146.0
[M-H]- 183.059754 144.0
[M+NH4]+ 202.100853 158.9
[M+K]+ 223.030188 144.9
[M+H-H2O]+ 167.064290 132.1
[M+HCOO]- 229.065231 156.6
[M+CH3COO]- 243.080881 151.5
[M+Na-2H]- 205.041696 138.6
[M]+ 184.06648142 137.5
[M]- 184.06757858 137.5
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.