CID 45158816

2-(1,2-thiazol-3-yl)acetonitrile

Structural Information

Molecular Formula
C5H4N2S
SMILES
C1=CSN=C1CC#N
InChI
InChI=1S/C5H4N2S/c6-3-1-5-2-4-8-7-5/h2,4H,1H2
InChIKey
ARPXWCKJHHFNNU-UHFFFAOYSA-N
Compound name
2-(1,2-thiazol-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

124.00952 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.016796 124.7
[M+Na]+ 146.998738 136.4
[M-H]- 123.002244 127.7
[M+NH4]+ 142.043343 145.9
[M+K]+ 162.972678 134.5
[M+H-H2O]+ 107.006780 112.3
[M+HCOO]- 169.007721 141.4
[M+CH3COO]- 183.023371 181.0
[M+Na-2H]- 144.984186 128.8
[M]+ 124.00897142 121.7
[M]- 124.01006858 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