CID 121552290

2-[(1-oxo-1lambda6-thiolan-1-ylidene)amino]acetonitrile

Structural Information

Molecular Formula
C6H10N2OS
SMILES
C1CCS(=NCC#N)(=O)C1
InChI
InChI=1S/C6H10N2OS/c7-3-4-8-10(9)5-1-2-6-10/h1-2,4-6H2
InChIKey
PMCAALXWRQCXMF-UHFFFAOYSA-N
Compound name
2-[(1-oxothiolan-1-ylidene)amino]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

158.05139 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.058666 135.7
[M+Na]+ 181.040608 146.2
[M-H]- 157.044114 141.0
[M+NH4]+ 176.085213 158.8
[M+K]+ 197.014548 143.7
[M+H-H2O]+ 141.048650 124.4
[M+HCOO]- 203.049591 153.3
[M+CH3COO]- 217.065241 187.9
[M+Na-2H]- 179.026056 139.8
[M]+ 158.05084142 131.3
[M]- 158.05193858 131.3
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