CID 62373

Properidine

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC(C)OC(=O)C1(CCN(CC1)C)C2=CC=CC=C2
InChI
InChI=1S/C16H23NO2/c1-13(2)19-15(18)16(9-11-17(3)12-10-16)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3
InChIKey
XJKQCILVUHXVIQ-UHFFFAOYSA-N
Compound name
propan-2-yl 1-methyl-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7616
Patents

261.17288 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.180156 163.2
[M+Na]+ 284.162098 167.4
[M-H]- 260.165604 167.5
[M+NH4]+ 279.206703 180.0
[M+K]+ 300.136038 165.4
[M+H-H2O]+ 244.170140 155.3
[M+HCOO]- 306.171081 179.9
[M+CH3COO]- 320.186731 196.6
[M+Na-2H]- 282.147546 165.2
[M]+ 261.17233142 160.7
[M]- 261.17342858 160.7
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