CID 3496101

3-chloro-n-{3-cyano-4h,5h,6h-cyclopenta[b]thiophen-2-yl}propanamide

Structural Information

Molecular Formula
C11H11ClN2OS
SMILES
C1CC2=C(C1)SC(=C2C#N)NC(=O)CCCl
InChI
InChI=1S/C11H11ClN2OS/c12-5-4-10(15)14-11-8(6-13)7-2-1-3-9(7)16-11/h1-5H2,(H,14,15)
InChIKey
JIYBSBGFFWPWSU-UHFFFAOYSA-N
Compound name
3-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.02806 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.03534 166.1
[M+Na]+ 277.01728 177.9
[M-H]- 253.02078 170.9
[M+NH4]+ 272.06188 187.1
[M+K]+ 292.99122 171.4
[M+H-H2O]+ 237.02532 155.3
[M+HCOO]- 299.02626 177.6
[M+CH3COO]- 313.04191 203.6
[M+Na-2H]- 275.00273 164.9
[M]+ 254.02751 164.9
[M]- 254.02861 164.9
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.