CID 3063908

1-methyl-4-piperidyl-2-norbornyl(1-propynyl)glycolate

Structural Information

Molecular Formula
C18H27NO3
SMILES
CC#CC(C1CC2CCC1C2)(C(=O)OC3CCN(CC3)C)O
InChI
InChI=1S/C18H27NO3/c1-3-8-18(21,16-12-13-4-5-14(16)11-13)17(20)22-15-6-9-19(2)10-7-15/h13-16,21H,4-7,9-12H2,1-2H3
InChIKey
GKELUWXDGQVVCC-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-(2-bicyclo[2.2.1]heptanyl)-2-hydroxypent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1991 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.206376 179.0
[M+Na]+ 328.188318 185.0
[M-H]- 304.191824 179.2
[M+NH4]+ 323.232923 194.7
[M+K]+ 344.162258 177.6
[M+H-H2O]+ 288.196360 167.2
[M+HCOO]- 350.197301 185.4
[M+CH3COO]- 364.212951 207.0
[M+Na-2H]- 326.173766 175.6
[M]+ 305.19855142 169.5
[M]- 305.19964858 169.5
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.