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 134.0
[M+Na]+ 180.04536 140.5
[M-H]- 156.04886 139.5
[M+NH4]+ 175.08996 156.3
[M+K]+ 196.01930 140.5
[M+H-H2O]+ 140.05340 128.6
[M+HCOO]- 202.05434 153.0
[M+CH3COO]- 216.06999 177.8
[M+Na-2H]- 178.03081 136.1
[M]+ 157.05559 134.3
[M]- 157.05669 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