CID 43649617

2-amino-n-[1-(thiophen-2-yl)ethyl]butanamide

Structural Information

Molecular Formula
C10H16N2OS
SMILES
CCC(C(=O)NC(C)C1=CC=CS1)N
InChI
InChI=1S/C10H16N2OS/c1-3-8(11)10(13)12-7(2)9-5-4-6-14-9/h4-8H,3,11H2,1-2H3,(H,12,13)
InChIKey
ICBPNXNIIVHBPZ-UHFFFAOYSA-N
Compound name
2-amino-N-(1-thiophen-2-ylethyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.09833 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10561 149.5
[M+Na]+ 235.08755 156.1
[M+NH4]+ 230.13215 157.0
[M+K]+ 251.06149 151.9
[M-H]- 211.09105 150.9
[M+Na-2H]- 233.07300 152.5
[M]+ 212.09778 150.8
[M]- 212.09888 150.8
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.