CID 14707892

58850-81-0

Structural Information

Molecular Formula
C5H4N2S
SMILES
CC1=NSC=C1C#N
InChI
InChI=1S/C5H4N2S/c1-4-5(2-6)3-8-7-4/h3H,1H3
InChIKey
CLQASPKCRDAKSG-UHFFFAOYSA-N
Compound name
3-methyl-1,2-thiazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

124.00952 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.01680 124.4
[M+Na]+ 146.99874 136.8
[M-H]- 123.00224 127.7
[M+NH4]+ 142.04334 145.9
[M+K]+ 162.97268 134.9
[M+H-H2O]+ 107.00678 112.3
[M+HCOO]- 169.00772 141.0
[M+CH3COO]- 183.02337 181.9
[M+Na-2H]- 144.98419 127.9
[M]+ 124.00897 121.6
[M]- 124.01007 121.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe