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]+ 130.03212 124.0
[M+Na]+ 152.01406 131.7
[M-H]- 128.01756 129.7
[M+NH4]+ 147.05866 147.4
[M+K]+ 167.98800 131.7
[M+H-H2O]+ 112.02210 118.9
[M+HCOO]- 174.02304 144.7
[M+CH3COO]- 188.03869 170.9
[M+Na-2H]- 149.99951 128.3
[M]+ 129.02429 124.2
[M]- 129.02539 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.