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]+ 306.20638 179.0
[M+Na]+ 328.18832 185.0
[M-H]- 304.19182 179.2
[M+NH4]+ 323.23292 194.7
[M+K]+ 344.16226 177.6
[M+H-H2O]+ 288.19636 167.2
[M+HCOO]- 350.19730 185.4
[M+CH3COO]- 364.21295 207.0
[M+Na-2H]- 326.17377 175.6
[M]+ 305.19855 169.5
[M]- 305.19965 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.