CID 112655253

2241127-93-3

Structural Information

Molecular Formula
C7H13NS
SMILES
C1CSCCC1=CCN
InChI
InChI=1S/C7H13NS/c8-4-1-7-2-5-9-6-3-7/h1H,2-6,8H2
InChIKey
VYGJKVZBHMGYRK-UHFFFAOYSA-N
Compound name
2-(thian-4-ylidene)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.07687 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.084146 129.6
[M+Na]+ 166.066088 134.5
[M-H]- 142.069594 131.9
[M+NH4]+ 161.110693 150.8
[M+K]+ 182.040028 131.8
[M+H-H2O]+ 126.074130 124.1
[M+HCOO]- 188.075071 145.6
[M+CH3COO]- 202.090721 172.8
[M+Na-2H]- 164.051536 131.8
[M]+ 143.07632142 124.1
[M]- 143.07741858 124.1
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.