CID 380296

101932-10-9

Structural Information

Molecular Formula
C18H27NO3
SMILES
CC#CC(C1CCCC1)(C(=O)OC2CCN(CC2)CC=C)O
InChI
InChI=1S/C18H27NO3/c1-3-11-18(21,15-7-5-6-8-15)17(20)22-16-9-13-19(12-4-2)14-10-16/h4,15-16,21H,2,5-10,12-14H2,1H3
InChIKey
KFAKSXHFDZBAHZ-UHFFFAOYSA-N
Compound name
(1-prop-2-enylpiperidin-4-yl) 2-cyclopentyl-2-hydroxypent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1991 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.206376 177.3
[M+Na]+ 328.188318 181.7
[M-H]- 304.191824 177.5
[M+NH4]+ 323.232923 189.5
[M+K]+ 344.162258 175.6
[M+H-H2O]+ 288.196360 164.0
[M+HCOO]- 350.197301 184.8
[M+CH3COO]- 364.212951 205.8
[M+Na-2H]- 326.173766 174.1
[M]+ 305.19855142 166.5
[M]- 305.19964858 166.5
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.