CID 3056605

Cyclohexanecarboxamide, 1-(3-thienyl)-

Structural Information

Molecular Formula
C11H15NOS
SMILES
C1CCC(CC1)(C2=CSC=C2)C(=O)N
InChI
InChI=1S/C11H15NOS/c12-10(13)11(5-2-1-3-6-11)9-4-7-14-8-9/h4,7-8H,1-3,5-6H2,(H2,12,13)
InChIKey
CWWXNBDSUXNCGB-UHFFFAOYSA-N
Compound name
1-thiophen-3-ylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08743 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.094706 147.1
[M+Na]+ 232.076648 152.3
[M-H]- 208.080154 152.7
[M+NH4]+ 227.121253 169.1
[M+K]+ 248.050588 149.4
[M+H-H2O]+ 192.084690 141.4
[M+HCOO]- 254.085631 163.6
[M+CH3COO]- 268.101281 183.5
[M+Na-2H]- 230.062096 147.9
[M]+ 209.08688142 142.9
[M]- 209.08797858 142.9
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.