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

56
Patents

127.04557 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.052846 122.8
[M+Na]+ 150.034788 132.9
[M-H]- 126.038294 127.2
[M+NH4]+ 145.079393 147.6
[M+K]+ 166.008728 130.6
[M+H-H2O]+ 110.042830 118.2
[M+HCOO]- 172.043771 144.1
[M+CH3COO]- 186.059421 172.6
[M+Na-2H]- 148.020236 124.8
[M]+ 127.04502142 123.7
[M]- 127.04611858 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