CID 55267003

4-amino-1-(thiophen-2-yl)butan-1-one hydrochloride

Structural Information

Molecular Formula
C8H11NOS
SMILES
C1=CSC(=C1)C(=O)CCCN
InChI
InChI=1S/C8H11NOS/c9-5-1-3-7(10)8-4-2-6-11-8/h2,4,6H,1,3,5,9H2
InChIKey
WTDNBFVMPRVJGN-UHFFFAOYSA-N
Compound name
4-amino-1-thiophen-2-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

169.05614 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06342 136.4
[M+Na]+ 192.04536 143.7
[M-H]- 168.04886 139.7
[M+NH4]+ 187.08996 158.6
[M+K]+ 208.01930 141.2
[M+H-H2O]+ 152.05340 130.7
[M+HCOO]- 214.05434 156.4
[M+CH3COO]- 228.06999 178.3
[M+Na-2H]- 190.03081 137.5
[M]+ 169.05559 137.3
[M]- 169.05669 137.3
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

patents stripe