CID 5468179

Nsc665775

Structural Information

Molecular Formula
C19H31NO3
SMILES
CC/C=C\C(C1CCCC1)(C(=O)OC2CCN(CC2)CC=C)O
InChI
InChI=1S/C19H31NO3/c1-3-5-12-19(22,16-8-6-7-9-16)18(21)23-17-10-14-20(13-4-2)15-11-17/h4-5,12,16-17,22H,2-3,6-11,13-15H2,1H3/b12-5-
InChIKey
XQKHEGYSDODBLT-XGICHPGQSA-N
Compound name
(1-prop-2-enylpiperidin-4-yl) (Z)-2-cyclopentyl-2-hydroxyhex-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.2304 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.23768 183.3
[M+Na]+ 344.21962 183.8
[M-H]- 320.22312 184.7
[M+NH4]+ 339.26422 196.5
[M+K]+ 360.19356 179.9
[M+H-H2O]+ 304.22766 175.7
[M+HCOO]- 366.22860 195.2
[M+CH3COO]- 380.24425 203.5
[M+Na-2H]- 342.20507 180.0
[M]+ 321.22985 177.7
[M]- 321.23095 177.7
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.