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

436
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

literature stripe

Patent stripe

patents stripe