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]+ 306.20638 177.3
[M+Na]+ 328.18832 181.7
[M-H]- 304.19182 177.5
[M+NH4]+ 323.23292 189.5
[M+K]+ 344.16226 175.6
[M+H-H2O]+ 288.19636 164.0
[M+HCOO]- 350.19730 184.8
[M+CH3COO]- 364.21295 205.8
[M+Na-2H]- 326.17377 174.1
[M]+ 305.19855 166.5
[M]- 305.19965 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.