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]+ 210.09471 147.1
[M+Na]+ 232.07665 152.3
[M-H]- 208.08015 152.7
[M+NH4]+ 227.12125 169.1
[M+K]+ 248.05059 149.4
[M+H-H2O]+ 192.08469 141.4
[M+HCOO]- 254.08563 163.6
[M+CH3COO]- 268.10128 183.5
[M+Na-2H]- 230.06210 147.9
[M]+ 209.08688 142.9
[M]- 209.08798 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.