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

6
Patents

158.05139 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.05867 135.7
[M+Na]+ 181.04061 146.2
[M-H]- 157.04411 141.0
[M+NH4]+ 176.08521 158.8
[M+K]+ 197.01455 143.7
[M+H-H2O]+ 141.04865 124.4
[M+HCOO]- 203.04959 153.3
[M+CH3COO]- 217.06524 187.9
[M+Na-2H]- 179.02606 139.8
[M]+ 158.05084 131.3
[M]- 158.05194 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