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

105
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

literature stripe

Patent stripe

patents stripe