CID 130501731

3-(2-isothiocyanatoethoxy)prop-1-ene

Structural Information

Molecular Formula
C6H9NOS
SMILES
C=CCOCCN=C=S
InChI
InChI=1S/C6H9NOS/c1-2-4-8-5-3-7-6-9/h2H,1,3-5H2
InChIKey
HKQKPICXKGHSPC-UHFFFAOYSA-N
Compound name
3-(2-isothiocyanatoethoxy)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.04048 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.04776 131.2
[M+Na]+ 166.02970 141.0
[M+NH4]+ 161.07430 139.4
[M+K]+ 182.00364 132.4
[M-H]- 142.03320 131.6
[M+Na-2H]- 164.01515 134.8
[M]+ 143.03993 132.9
[M]- 143.04103 132.9
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

No patent data available for this compound.