CID 54595019

(4,5-dimethylthiophen-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C7H11NS
SMILES
CC1=C(SC(=C1)CN)C
InChI
InChI=1S/C7H11NS/c1-5-3-7(4-8)9-6(5)2/h3H,4,8H2,1-2H3
InChIKey
DFDNXKUTNOOVNR-UHFFFAOYSA-N
Compound name
(4,5-dimethylthiophen-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

141.06122 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06850 128.7
[M+Na]+ 164.05044 139.6
[M+NH4]+ 159.09504 138.6
[M+K]+ 180.02438 133.2
[M-H]- 140.05394 131.6
[M+Na-2H]- 162.03589 133.8
[M]+ 141.06067 131.5
[M]- 141.06177 131.5
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