CID 252453

Bis[(thiophen-2-yl)methyl]amine

Structural Information

Molecular Formula
C10H11NS2
SMILES
C1=CSC(=C1)CNCC2=CC=CS2
InChI
InChI=1S/C10H11NS2/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1-6,11H,7-8H2
InChIKey
RPLOKUQDTWODSZ-UHFFFAOYSA-N
Compound name
1-thiophen-2-yl-N-(thiophen-2-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

209.0333 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.04058 143.0
[M+Na]+ 232.02252 153.4
[M-H]- 208.02602 150.9
[M+NH4]+ 227.06712 166.3
[M+K]+ 247.99646 149.0
[M+H-H2O]+ 192.03056 137.7
[M+HCOO]- 254.03150 162.2
[M+CH3COO]- 268.04715 157.4
[M+Na-2H]- 230.00797 144.1
[M]+ 209.03275 146.9
[M]- 209.03385 146.9
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.