CID 82424549

2-(methoxymethyl)-1,3-thiazole-5-carbonitrile

Structural Information

Molecular Formula
C6H6N2OS
SMILES
COCC1=NC=C(S1)C#N
InChI
InChI=1S/C6H6N2OS/c1-9-4-6-8-3-5(2-7)10-6/h3H,4H2,1H3
InChIKey
ZNXKAMIYOJYAKD-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-1,3-thiazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.02008 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.027356 130.9
[M+Na]+ 177.009298 142.7
[M-H]- 153.012804 134.0
[M+NH4]+ 172.053903 151.2
[M+K]+ 192.983238 141.1
[M+H-H2O]+ 137.017340 118.4
[M+HCOO]- 199.018281 147.4
[M+CH3COO]- 213.033931 186.3
[M+Na-2H]- 174.994746 134.0
[M]+ 154.01953142 129.7
[M]- 154.02062858 129.7
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.