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]+ 170.063416 136.4
[M+Na]+ 192.045358 143.7
[M-H]- 168.048864 139.7
[M+NH4]+ 187.089963 158.6
[M+K]+ 208.019298 141.2
[M+H-H2O]+ 152.053400 130.7
[M+HCOO]- 214.054341 156.4
[M+CH3COO]- 228.069991 178.3
[M+Na-2H]- 190.030806 137.5
[M]+ 169.05559142 137.3
[M]- 169.05668858 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