CID 176265

Gacyclidine

Structural Information

Molecular Formula

C₁₆H₂₅NS

SMILES

C[C@H]1CCCC[C@@]1(C2=CC=CS2)N3CCCCC3

InChI

InChI=1S/C16H25NS/c1-14-8-3-4-10-16(14,15-9-7-13-18-15)17-11-5-2-6-12-17/h7,9,13-14H,2-6,8,10-12H2,1H3/t14-,16+/m0/s1

InChIKey

DKFAAPPUYWQKKF-GOEBONIOSA-N

Compound name

1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 36
References: 1093
Patents: 263.17078 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	264.17806	163.6
[M+Na]+	286.16000	167.1
[M-H]-	262.16350	170.4
[M+NH4]+	281.20460	182.6
[M+K]+	302.13394	163.2
[M+H-H2O]+	246.16804	155.7
[M+HCOO]-	308.16898	174.9
[M+CH3COO]-	322.18463	173.5
[M+Na-2H]-	284.14545	161.7
[M]+	263.17023	156.8
[M]-	263.17133	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe