CID 3020343

85099-02-1

Structural Information

Molecular Formula
C6H11NOS
SMILES
CCC(COC)N=C=S
InChI
InChI=1S/C6H11NOS/c1-3-6(4-8-2)7-5-9/h6H,3-4H2,1-2H3
InChIKey
IVNMWEWWGCVXEY-UHFFFAOYSA-N
Compound name
2-isothiocyanato-1-methoxybutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.05614 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.06342 132.0
[M+Na]+ 168.04536 141.4
[M+NH4]+ 163.08996 140.3
[M+K]+ 184.01930 133.7
[M-H]- 144.04886 132.4
[M+Na-2H]- 166.03081 135.3
[M]+ 145.05559 133.7
[M]- 145.05669 133.7
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.