CID 69816

Allyl thiocyanate

Structural Information

Molecular Formula
C4H5NS
SMILES
C=CCSC#N
InChI
InChI=1S/C4H5NS/c1-2-3-6-4-5/h2H,1,3H2
InChIKey
IFVYHJRLWCUVBB-UHFFFAOYSA-N
Compound name
prop-2-enyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

543
Patents

99.01427 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.02155 115.1
[M+Na]+ 122.00349 125.7
[M+NH4]+ 117.04809 120.9
[M+K]+ 137.97743 115.3
[M-H]- 98.006994 108.7
[M+Na-2H]- 119.98894 117.6
[M]+ 99.013721 114.3
[M]- 99.014819 114.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe