CID 4913352

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
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

literature stripe

Patent stripe

patents stripe