CID 43649555

2-amino-n-[(thiophen-2-yl)methyl]butanamide hydrochloride

Structural Information

Molecular Formula
C9H14N2OS
SMILES
CCC(C(=O)NCC1=CC=CS1)N
InChI
InChI=1S/C9H14N2OS/c1-2-8(10)9(12)11-6-7-4-3-5-13-7/h3-5,8H,2,6,10H2,1H3,(H,11,12)
InChIKey
LQNGXUZVCCDQCA-UHFFFAOYSA-N
Compound name
2-amino-N-(thiophen-2-ylmethyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.08269 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08997 144.9
[M+Na]+ 221.07191 152.1
[M+NH4]+ 216.11651 152.7
[M+K]+ 237.04585 147.3
[M-H]- 197.07541 146.5
[M+Na-2H]- 219.05736 148.5
[M]+ 198.08214 146.4
[M]- 198.08324 146.4
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.