CID 2911

Cycrimine

Structural Information

Molecular Formula
C19H29NO
SMILES
C1CCN(CC1)CCC(C2CCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C19H29NO/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-17)13-16-20-14-7-2-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2
InChIKey
SWRUZBWLEWHWRI-UHFFFAOYSA-N
Compound name
1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

8
References

789
Patents

287.2249 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.23218 172.4
[M+Na]+ 310.21412 172.7
[M-H]- 286.21762 177.0
[M+NH4]+ 305.25872 186.5
[M+K]+ 326.18806 168.2
[M+H-H2O]+ 270.22216 163.5
[M+HCOO]- 332.22310 185.8
[M+CH3COO]- 346.23875 197.0
[M+Na-2H]- 308.19957 172.7
[M]+ 287.22435 163.7
[M]- 287.22545 163.7
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