CID 93884

N-(2-thienylmethyl)-2-thiophenemethanamine

Structural Information

Molecular Formula
C10H11NS2
SMILES
C1C=CSC(=C1)NC2=CCC=CS2
InChI
InChI=1S/C10H11NS2/c1-3-7-12-9(5-1)11-10-6-2-4-8-13-10/h3-8,11H,1-2H2
InChIKey
XSVAMCIOBOBMJJ-UHFFFAOYSA-N
Compound name
N-(4H-thiopyran-2-yl)-4H-thiopyran-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0333 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.04058 138.7
[M+Na]+ 232.02252 145.0
[M-H]- 208.02602 144.5
[M+NH4]+ 227.06712 157.5
[M+K]+ 247.99646 139.9
[M+H-H2O]+ 192.03056 132.2
[M+HCOO]- 254.03150 151.9
[M+CH3COO]- 268.04715 150.6
[M+Na-2H]- 230.00797 142.4
[M]+ 209.03275 136.0
[M]- 209.03385 136.0
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.