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 131.7
[M+Na]+ 175.03004 144.0
[M-H]- 151.03354 135.1
[M+NH4]+ 170.07464 152.4
[M+K]+ 191.00398 141.7
[M+H-H2O]+ 135.03808 119.5
[M+HCOO]- 197.03902 147.7
[M+CH3COO]- 211.05467 188.3
[M+Na-2H]- 173.01549 133.7
[M]+ 152.04027 129.9
[M]- 152.04137 129.9
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