CID 54166005

1-(2-methyl-1-benzothiophen-5-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C10H11NS
SMILES
CC1=CC2=C(S1)C=CC(=C2)CN
InChI
InChI=1S/C10H11NS/c1-7-4-9-5-8(6-11)2-3-10(9)12-7/h2-5H,6,11H2,1H3
InChIKey
ORRKNPUBNIHJIA-UHFFFAOYSA-N
Compound name
(2-methyl-1-benzothiophen-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.06122 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06850 134.5
[M+Na]+ 200.05044 147.8
[M+NH4]+ 195.09504 145.4
[M+K]+ 216.02438 140.0
[M-H]- 176.05394 138.7
[M+Na-2H]- 198.03589 141.5
[M]+ 177.06067 138.2
[M]- 177.06177 138.2
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

No patent data available for this compound.