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

11
Patents

164.04082 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.048096 130.9
[M+Na]+ 187.030038 147.7
[M-H]- 163.033544 138.8
[M+NH4]+ 182.074643 148.0
[M+K]+ 203.003978 141.4
[M+H-H2O]+ 147.038080 120.5
[M+HCOO]- 209.039021 148.9
[M+CH3COO]- 223.054671 145.2
[M+Na-2H]- 185.015486 135.4
[M]+ 164.04027142 131.8
[M]- 164.04136858 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