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 127.4
[M+Na]+ 164.05044 137.0
[M-H]- 140.05394 131.6
[M+NH4]+ 159.09504 151.5
[M+K]+ 180.02438 134.4
[M+H-H2O]+ 124.05848 122.5
[M+HCOO]- 186.05942 148.2
[M+CH3COO]- 200.07507 175.6
[M+Na-2H]- 162.03589 128.8
[M]+ 141.06067 128.5
[M]- 141.06177 128.5
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