CID 44146218

1-methyl-4-piperidyl cyclopentyl(3-methyl-1-cis-butenyl)glycolate

Structural Information

Molecular Formula
C18H31NO3
SMILES
CC(C)/C=C\C(C1CCCC1)(C(=O)OC2CCN(CC2)C)O
InChI
InChI=1S/C18H31NO3/c1-14(2)8-11-18(21,15-6-4-5-7-15)17(20)22-16-9-12-19(3)13-10-16/h8,11,14-16,21H,4-7,9-10,12-13H2,1-3H3/b11-8-
InChIKey
UBTMTPIRIYHBRK-FLIBITNWSA-N
Compound name
(1-methylpiperidin-4-yl) (Z)-2-cyclopentyl-2-hydroxy-5-methylhex-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.2304 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.23768 177.9
[M+Na]+ 332.21962 183.6
[M+NH4]+ 327.26422 183.4
[M+K]+ 348.19356 181.4
[M-H]- 308.22312 177.5
[M+Na-2H]- 330.20507 178.7
[M]+ 309.22985 178.1
[M]- 309.23095 178.1
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.