CID 23464347

854628-35-6

Structural Information

Molecular Formula
C6H9NS
SMILES
CC1=CC(=C(S1)C)N
InChI
InChI=1S/C6H9NS/c1-4-3-6(7)5(2)8-4/h3H,7H2,1-2H3
InChIKey
PQJUONYRKFPEAE-UHFFFAOYSA-N
Compound name
2,5-dimethylthiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
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

No literature data available for this compound.

Patent stripe

patents stripe