CID 68560106

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

Structural Information

Molecular Formula
C8H11NOS
SMILES
CC(CC(=O)C1=CC=CS1)N
InChI
InChI=1S/C8H11NOS/c1-6(9)5-7(10)8-3-2-4-11-8/h2-4,6H,5,9H2,1H3
InChIKey
MKKPDVXAVAVBOW-UHFFFAOYSA-N
Compound name
3-amino-1-thiophen-2-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

169.05614 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06342 137.3
[M+Na]+ 192.04536 144.2
[M-H]- 168.04886 140.6
[M+NH4]+ 187.08996 159.3
[M+K]+ 208.01930 142.2
[M+H-H2O]+ 152.05340 131.6
[M+HCOO]- 214.05434 156.1
[M+CH3COO]- 228.06999 179.2
[M+Na-2H]- 190.03081 137.2
[M]+ 169.05559 137.5
[M]- 169.05669 137.5
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