CID 81160968

1-(3,5-dimethylthiophen-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C7H11NS
SMILES
CC1=CC(=C(S1)CN)C
InChI
InChI=1S/C7H11NS/c1-5-3-6(2)9-7(5)4-8/h3H,4,8H2,1-2H3
InChIKey
GLDFCMBXYYLTEB-UHFFFAOYSA-N
Compound name
(3,5-dimethylthiophen-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

141.06122 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.068496 127.4
[M+Na]+ 164.050438 137.0
[M-H]- 140.053944 131.6
[M+NH4]+ 159.095043 151.5
[M+K]+ 180.024378 134.4
[M+H-H2O]+ 124.058480 122.5
[M+HCOO]- 186.059421 148.2
[M+CH3COO]- 200.075071 175.6
[M+Na-2H]- 162.035886 128.8
[M]+ 141.06067142 128.5
[M]- 141.06176858 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