CID 2560646

53175-34-1

Structural Information

Molecular Formula
C8H11NS
SMILES
C=CCNCC1=CC=CS1
InChI
InChI=1S/C8H11NS/c1-2-5-9-7-8-4-3-6-10-8/h2-4,6,9H,1,5,7H2
InChIKey
GMUZUSDRGMOZHQ-UHFFFAOYSA-N
Compound name
N-(thiophen-2-ylmethyl)prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

153.06122 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.068496 131.6
[M+Na]+ 176.050438 139.4
[M-H]- 152.053944 135.5
[M+NH4]+ 171.095043 154.9
[M+K]+ 192.024378 136.4
[M+H-H2O]+ 136.058480 126.1
[M+HCOO]- 198.059421 153.1
[M+CH3COO]- 212.075071 176.3
[M+Na-2H]- 174.035886 134.9
[M]+ 153.06067142 132.7
[M]- 153.06176858 132.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe