CID 60723472

1909336-78-2

Structural Information

Molecular Formula
C8H8N2S
SMILES
C1CC1C2=CSC(=N2)CC#N
InChI
InChI=1S/C8H8N2S/c9-4-3-8-10-7(5-11-8)6-1-2-6/h5-6H,1-3H2
InChIKey
GXBUEZZXMVHABW-UHFFFAOYSA-N
Compound name
2-(4-cyclopropyl-1,3-thiazol-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

164.04082 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04810 130.9
[M+Na]+ 187.03004 147.7
[M-H]- 163.03354 138.8
[M+NH4]+ 182.07464 148.0
[M+K]+ 203.00398 141.4
[M+H-H2O]+ 147.03808 120.5
[M+HCOO]- 209.03902 148.9
[M+CH3COO]- 223.05467 145.2
[M+Na-2H]- 185.01549 135.4
[M]+ 164.04027 131.8
[M]- 164.04137 131.8
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