CID 144710

75052-04-9

Structural Information

Molecular Formula
C5H9NO2S
SMILES
COC(CN=C=S)OC
InChI
InChI=1S/C5H9NO2S/c1-7-5(8-2)3-6-4-9/h5H,3H2,1-2H3
InChIKey
LMLTWPRCKDMKLQ-UHFFFAOYSA-N
Compound name
2-isothiocyanato-1,1-dimethoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

147.0354 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.04268 130.8
[M+Na]+ 170.02462 139.9
[M+NH4]+ 165.06922 138.7
[M+K]+ 185.99856 133.0
[M-H]- 146.02812 130.7
[M+Na-2H]- 168.01007 133.9
[M]+ 147.03485 132.2
[M]- 147.03595 132.2
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

patents stripe