CID 44146218

Cyclopentaneglycolic acid, alpha-(3-methyl-1-butenyl)-, 1-methyl-4-piperidyl ester, (z)-

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]+ 310.237676 179.6
[M+Na]+ 332.219618 180.1
[M-H]- 308.223124 181.4
[M+NH4]+ 327.264223 193.5
[M+K]+ 348.193558 177.6
[M+H-H2O]+ 292.227660 172.5
[M+HCOO]- 354.228601 190.8
[M+CH3COO]- 368.244251 202.2
[M+Na-2H]- 330.205066 175.7
[M]+ 309.22985142 173.8
[M]- 309.23094858 173.8
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.