CID 43534159

2-(1-isothiocyanatoethyl)oxolane

Structural Information

Molecular Formula
C7H11NOS
SMILES
CC(C1CCCO1)N=C=S
InChI
InChI=1S/C7H11NOS/c1-6(8-5-10)7-3-2-4-9-7/h6-7H,2-4H2,1H3
InChIKey
AZSLONXMXZZZTL-UHFFFAOYSA-N
Compound name
2-(1-isothiocyanatoethyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

157.05614 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.06342 135.3
[M+Na]+ 180.04536 144.0
[M+NH4]+ 175.08996 144.1
[M+K]+ 196.01930 138.4
[M-H]- 156.04886 138.4
[M+Na-2H]- 178.03081 138.5
[M]+ 157.05559 137.6
[M]- 157.05669 137.6
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