CID 124510019

(3r)-3-isothiocyanatooxolane

Structural Information

Molecular Formula
C5H7NOS
SMILES
C1COC[C@@H]1N=C=S
InChI
InChI=1S/C5H7NOS/c8-4-6-5-1-2-7-3-5/h5H,1-3H2/t5-/m1/s1
InChIKey
USGDSJYCXCLAFX-RXMQYKEDSA-N
Compound name
(3R)-3-isothiocyanatooxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.02484 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.032116 124.0
[M+Na]+ 152.014058 131.7
[M-H]- 128.017564 129.7
[M+NH4]+ 147.058663 147.4
[M+K]+ 167.987998 131.7
[M+H-H2O]+ 112.022100 118.9
[M+HCOO]- 174.023041 144.7
[M+CH3COO]- 188.038691 170.9
[M+Na-2H]- 149.999506 128.3
[M]+ 129.02429142 124.2
[M]- 129.02538858 124.2
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

No patent data available for this compound.