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]+ 199.089966 145.2
[M+Na]+ 221.071908 150.7
[M-H]- 197.075414 148.2
[M+NH4]+ 216.116513 165.6
[M+K]+ 237.045848 148.4
[M+H-H2O]+ 181.079950 138.7
[M+HCOO]- 243.080891 164.6
[M+CH3COO]- 257.096541 186.5
[M+Na-2H]- 219.057356 145.1
[M]+ 198.08214142 144.8
[M]- 198.08323858 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.