CID 13341198

2,4-dimethylthiophen-3-amine hydrochloride

Structural Information

Molecular Formula
C6H9NS
SMILES
CC1=CSC(=C1N)C
InChI
InChI=1S/C6H9NS/c1-4-3-8-5(2)6(4)7/h3H,7H2,1-2H3
InChIKey
NKYZMZNNAWWQCF-UHFFFAOYSA-N
Compound name
2,4-dimethylthiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

127.04557 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05285 122.8
[M+Na]+ 150.03479 132.9
[M-H]- 126.03829 127.2
[M+NH4]+ 145.07939 147.6
[M+K]+ 166.00873 130.6
[M+H-H2O]+ 110.04283 118.2
[M+HCOO]- 172.04377 144.1
[M+CH3COO]- 186.05942 172.6
[M+Na-2H]- 148.02024 124.8
[M]+ 127.04502 123.7
[M]- 127.04612 123.7
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