CID 21890350

Schembl5825825

Structural Information

Molecular Formula
C7H9NOS
SMILES
C1CCC(C1)C(=O)N=C=S
InChI
InChI=1S/C7H9NOS/c9-7(8-5-10)6-3-1-2-4-6/h6H,1-4H2
InChIKey
SGCJFQAAAFFOMR-UHFFFAOYSA-N
Compound name
cyclopentanecarbonyl isothiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

155.04048 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04776 135.2
[M+Na]+ 178.02970 143.7
[M+NH4]+ 173.07430 143.9
[M+K]+ 194.00364 137.6
[M-H]- 154.03320 136.9
[M+Na-2H]- 176.01515 138.8
[M]+ 155.03993 137.0
[M]- 155.04103 137.0
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