CID 22506771

261925-40-0

Structural Information

Molecular Formula
C9H9NS2
SMILES
C1=CSC(=C1)C(C2=CC=CS2)N
InChI
InChI=1S/C9H9NS2/c10-9(7-3-1-5-11-7)8-4-2-6-12-8/h1-6,9H,10H2
InChIKey
HEAOJLNXGDGSIZ-UHFFFAOYSA-N
Compound name
dithiophen-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

195.01764 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.02492 140.1
[M+Na]+ 218.00686 150.5
[M-H]- 194.01036 147.7
[M+NH4]+ 213.05146 163.6
[M+K]+ 233.98080 146.4
[M+H-H2O]+ 178.01490 135.0
[M+HCOO]- 240.01584 157.9
[M+CH3COO]- 254.03149 154.4
[M+Na-2H]- 215.99231 139.7
[M]+ 195.01709 142.1
[M]- 195.01819 142.1
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