CID 19754807

1-(thiophen-2-yl)cyclohexane-1-carbonitrile

Structural Information

Molecular Formula
C11H13NS
SMILES
C1CCC(CC1)(C#N)C2=CC=CS2
InChI
InChI=1S/C11H13NS/c12-9-11(6-2-1-3-7-11)10-5-4-8-13-10/h4-5,8H,1-3,6-7H2
InChIKey
KTEMQFYJEQOWLW-UHFFFAOYSA-N
Compound name
1-thiophen-2-ylcyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

191.07687 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08415 148.0
[M+Na]+ 214.06609 158.0
[M-H]- 190.06959 154.2
[M+NH4]+ 209.11069 169.5
[M+K]+ 230.04003 152.4
[M+H-H2O]+ 174.07413 136.2
[M+HCOO]- 236.07507 161.9
[M+CH3COO]- 250.09072 159.6
[M+Na-2H]- 212.05154 150.1
[M]+ 191.07632 141.0
[M]- 191.07742 141.0
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

patents stripe