CID 12393936

31815-41-5

Structural Information

Molecular Formula
C5H4N2OS
SMILES
COC1=NSC=C1C#N
InChI
InChI=1S/C5H4N2OS/c1-8-5-4(2-6)3-9-7-5/h3H,1H3
InChIKey
FVTFSBZMBYIZNA-UHFFFAOYSA-N
Compound name
3-methoxy-1,2-thiazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

140.00444 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.01172 127.0
[M+Na]+ 162.99366 139.2
[M-H]- 138.99716 130.3
[M+NH4]+ 158.03826 147.8
[M+K]+ 178.96760 137.8
[M+H-H2O]+ 123.00170 114.7
[M+HCOO]- 185.00264 143.8
[M+CH3COO]- 199.01829 183.6
[M+Na-2H]- 160.97911 130.6
[M]+ 140.00389 125.5
[M]- 140.00499 125.5
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

patents stripe