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 145.2
[M+Na]+ 221.07191 150.7
[M-H]- 197.07541 148.2
[M+NH4]+ 216.11651 165.6
[M+K]+ 237.04585 148.4
[M+H-H2O]+ 181.07995 138.7
[M+HCOO]- 243.08089 164.6
[M+CH3COO]- 257.09654 186.5
[M+Na-2H]- 219.05736 145.1
[M]+ 198.08214 144.8
[M]- 198.08324 144.8
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.