CID 62436

Rolicyclidine

Structural Information

Molecular Formula
C16H23N
SMILES
C1CCC(CC1)(C2=CC=CC=C2)N3CCCC3
InChI
InChI=1S/C16H23N/c1-3-9-15(10-4-1)16(11-5-2-6-12-16)17-13-7-8-14-17/h1,3-4,9-10H,2,5-8,11-14H2
InChIKey
FYOWWXMGDATDQY-UHFFFAOYSA-N
Compound name
1-(1-phenylcyclohexyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

13
References

466
Patents

229.18304 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.19032 156.8
[M+Na]+ 252.17226 159.7
[M-H]- 228.17576 163.4
[M+NH4]+ 247.21686 176.0
[M+K]+ 268.14620 155.8
[M+H-H2O]+ 212.18030 147.8
[M+HCOO]- 274.18124 174.2
[M+CH3COO]- 288.19689 167.2
[M+Na-2H]- 250.15771 159.0
[M]+ 229.18249 148.2
[M]- 229.18359 148.2
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.