CID 46398261

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

Structural Information

Molecular Formula
C7H8N2S
SMILES
CC1=C(SC(=N1)CC#N)C
InChI
InChI=1S/C7H8N2S/c1-5-6(2)10-7(9-5)3-4-8/h3H2,1-2H3
InChIKey
ZZUFHCBRALCGFV-UHFFFAOYSA-N
Compound name
2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

152.04082 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04810 126.3
[M+Na]+ 175.03004 137.8
[M+NH4]+ 170.07464 132.1
[M+K]+ 191.00398 128.8
[M-H]- 151.03354 120.8
[M+Na-2H]- 173.01549 129.5
[M]+ 152.04027 126.0
[M]- 152.04137 126.0
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