CID 2776424

4380-96-5

Structural Information

Molecular Formula
C9H9NS2
SMILES
C1=CSC(=C1)C2=CC=C(S2)CN
InChI
InChI=1S/C9H9NS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5H,6,10H2
InChIKey
FHYTVXBZSXZMGD-UHFFFAOYSA-N
Compound name
(5-thiophen-2-ylthiophen-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

20
Patents

195.01764 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.024916 138.7
[M+Na]+ 218.006858 150.3
[M-H]- 194.010364 146.6
[M+NH4]+ 213.051463 162.6
[M+K]+ 233.980798 145.6
[M+H-H2O]+ 178.014900 133.9
[M+HCOO]- 240.015841 157.5
[M+CH3COO]- 254.031491 153.6
[M+Na-2H]- 215.992306 138.7
[M]+ 195.01709142 141.7
[M]- 195.01818858 141.7
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