CID 82424557

1485565-10-3

Structural Information

Molecular Formula
C7H8N2OS
SMILES
COCC1=NC=C(S1)CC#N
InChI
InChI=1S/C7H8N2OS/c1-10-5-7-9-4-6(11-7)2-3-8/h4H,2,5H2,1H3
InChIKey
ALBSXHAZVJMCMT-UHFFFAOYSA-N
Compound name
2-[2-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.03574 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.043016 134.7
[M+Na]+ 191.024958 146.2
[M-H]- 167.028464 137.7
[M+NH4]+ 186.069563 154.5
[M+K]+ 206.998898 144.3
[M+H-H2O]+ 151.033000 122.1
[M+HCOO]- 213.033941 151.0
[M+CH3COO]- 227.049591 189.0
[M+Na-2H]- 189.010406 137.4
[M]+ 168.03519142 133.9
[M]- 168.03628858 133.9
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.