CID 3056598

73812-03-0

Structural Information

Molecular Formula
C11H17NOS
SMILES
CCC(CC)C(C1=CSC=C1)C(=O)N
InChI
InChI=1S/C11H17NOS/c1-3-8(4-2)10(11(12)13)9-5-6-14-7-9/h5-8,10H,3-4H2,1-2H3,(H2,12,13)
InChIKey
DRPGXHUZIKBOIM-UHFFFAOYSA-N
Compound name
3-ethyl-2-thiophen-3-ylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.10309 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.11037 151.4
[M+Na]+ 234.09231 156.6
[M-H]- 210.09581 154.3
[M+NH4]+ 229.13691 171.6
[M+K]+ 250.06625 154.4
[M+H-H2O]+ 194.10035 145.2
[M+HCOO]- 256.10129 168.2
[M+CH3COO]- 270.11694 189.1
[M+Na-2H]- 232.07776 148.7
[M]+ 211.10254 152.0
[M]- 211.10364 152.0
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.