CID 167738243

3-isothiocyanato-4-methyloxolane

Structural Information

Molecular Formula
C6H9NOS
SMILES
CC1COCC1N=C=S
InChI
InChI=1S/C6H9NOS/c1-5-2-8-3-6(5)7-4-9/h5-6H,2-3H2,1H3
InChIKey
HRYWVEDSILRZMK-UHFFFAOYSA-N
Compound name
3-isothiocyanato-4-methyloxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.04048 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.04776 128.1
[M+Na]+ 166.02970 136.2
[M-H]- 142.03320 134.0
[M+NH4]+ 161.07430 151.3
[M+K]+ 182.00364 135.9
[M+H-H2O]+ 126.03774 123.1
[M+HCOO]- 188.03868 148.4
[M+CH3COO]- 202.05433 175.0
[M+Na-2H]- 164.01515 131.2
[M]+ 143.03993 129.0
[M]- 143.04103 129.0
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.