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 127.7
[M+Na]+ 166.02970 135.5
[M-H]- 142.03320 129.6
[M+NH4]+ 161.07430 150.2
[M+K]+ 182.00364 133.6
[M+H-H2O]+ 126.03774 122.4
[M+HCOO]- 188.03868 149.3
[M+CH3COO]- 202.05433 177.1
[M+Na-2H]- 164.01515 132.0
[M]+ 143.03993 131.4
[M]- 143.04103 131.4
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.