CID 3614460

1-(2,5-dimethylthiophen-3-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H13NS
SMILES
CC1=CC(=C(S1)C)C(C)N
InChI
InChI=1S/C8H13NS/c1-5-4-8(6(2)9)7(3)10-5/h4,6H,9H2,1-3H3
InChIKey
FCVVALGYYCPMEM-UHFFFAOYSA-N
Compound name
1-(2,5-dimethylthiophen-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

155.07687 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.08415 132.6
[M+Na]+ 178.06609 141.4
[M-H]- 154.06959 136.7
[M+NH4]+ 173.11069 156.1
[M+K]+ 194.04003 139.1
[M+H-H2O]+ 138.07413 127.6
[M+HCOO]- 200.07507 152.0
[M+CH3COO]- 214.09072 179.5
[M+Na-2H]- 176.05154 132.4
[M]+ 155.07632 133.5
[M]- 155.07742 133.5
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