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]+ 144.047756 127.7
[M+Na]+ 166.029698 135.5
[M-H]- 142.033204 129.6
[M+NH4]+ 161.074303 150.2
[M+K]+ 182.003638 133.6
[M+H-H2O]+ 126.037740 122.4
[M+HCOO]- 188.038681 149.3
[M+CH3COO]- 202.054331 177.1
[M+Na-2H]- 164.015146 132.0
[M]+ 143.03993142 131.4
[M]- 143.04102858 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.