CID 16494915

[1-(thiophen-2-yl)cyclohexyl]methanamine

Structural Information

Molecular Formula
C11H17NS
SMILES
C1CCC(CC1)(CN)C2=CC=CS2
InChI
InChI=1S/C11H17NS/c12-9-11(6-2-1-3-7-11)10-5-4-8-13-10/h4-5,8H,1-3,6-7,9,12H2
InChIKey
QVLGCILLMAUJBI-UHFFFAOYSA-N
Compound name
(1-thiophen-2-ylcyclohexyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

195.10817 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.11545 143.2
[M+Na]+ 218.09739 148.8
[M-H]- 194.10089 148.9
[M+NH4]+ 213.14199 166.1
[M+K]+ 234.07133 145.4
[M+H-H2O]+ 178.10543 137.5
[M+HCOO]- 240.10637 160.5
[M+CH3COO]- 254.12202 155.5
[M+Na-2H]- 216.08284 145.1
[M]+ 195.10762 138.9
[M]- 195.10872 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe