CID 5468174

Nsc665745

Structural Information

Molecular Formula
C17H29NO3
SMILES
CC/C=C\C(C1CCCC1)(C(=O)OC2CCN(CC2)C)O
InChI
InChI=1S/C17H29NO3/c1-3-4-11-17(20,14-7-5-6-8-14)16(19)21-15-9-12-18(2)13-10-15/h4,11,14-15,20H,3,5-10,12-13H2,1-2H3/b11-4-
InChIKey
KZQMQKXFKZZRSP-WCIBSUBMSA-N
Compound name
(1-methylpiperidin-4-yl) (Z)-2-cyclopentyl-2-hydroxyhex-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.21475 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.22203 174.4
[M+Na]+ 318.20397 180.6
[M+NH4]+ 313.24857 180.1
[M+K]+ 334.17791 177.7
[M-H]- 294.20747 174.2
[M+Na-2H]- 316.18942 175.7
[M]+ 295.21420 174.7
[M]- 295.21530 174.7
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.