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]+ 213.105606 150.5
[M+Na]+ 235.087548 155.3
[M-H]- 211.091054 153.4
[M+NH4]+ 230.132153 170.3
[M+K]+ 251.061488 153.3
[M+H-H2O]+ 195.095590 143.9
[M+HCOO]- 257.096531 168.6
[M+CH3COO]- 271.112181 190.4
[M+Na-2H]- 233.072996 148.8
[M]+ 212.09778142 149.9
[M]- 212.09887858 149.9
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.