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]+ 158.063416 134.0
[M+Na]+ 180.045358 140.5
[M-H]- 156.048864 139.5
[M+NH4]+ 175.089963 156.3
[M+K]+ 196.019298 140.5
[M+H-H2O]+ 140.053400 128.6
[M+HCOO]- 202.054341 153.0
[M+CH3COO]- 216.069991 177.8
[M+Na-2H]- 178.030806 136.1
[M]+ 157.05559142 134.3
[M]- 157.05668858 134.3
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