CID 54051727

50382-34-8

Structural Information

Molecular Formula
C5H4N2S
SMILES
C1=C(SC=N1)CC#N
InChI
InChI=1S/C5H4N2S/c6-2-1-5-3-7-4-8-5/h3-4H,1H2
InChIKey
NHWVXEVKCPDPFB-UHFFFAOYSA-N
Compound name
2-(1,3-thiazol-5-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

124.00952 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.01680 124.7
[M+Na]+ 146.99874 136.4
[M-H]- 123.00224 127.7
[M+NH4]+ 142.04334 145.9
[M+K]+ 162.97268 134.5
[M+H-H2O]+ 107.00678 112.3
[M+HCOO]- 169.00772 141.4
[M+CH3COO]- 183.02337 181.0
[M+Na-2H]- 144.98419 128.8
[M]+ 124.00897 121.7
[M]- 124.01007 121.7
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

patents stripe