CID 6437651

Einecs 273-370-6

Structural Information

Molecular Formula
C21H37NO3
SMILES
CCCCC/C=C/CCCCCC(CN1CCCCC1)C(=O)C(=O)O
InChI
InChI=1S/C21H37NO3/c1-2-3-4-5-6-7-8-9-10-12-15-19(20(23)21(24)25)18-22-16-13-11-14-17-22/h6-7,19H,2-5,8-18H2,1H3,(H,24,25)/b7-6+
InChIKey
OAGDICJAJXBCLR-VOTSOKGWSA-N
Compound name
(E)-2-oxo-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.27734 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.28462 194.0
[M+Na]+ 374.26656 192.8
[M-H]- 350.27006 191.4
[M+NH4]+ 369.31116 204.2
[M+K]+ 390.24050 188.8
[M+H-H2O]+ 334.27460 185.5
[M+HCOO]- 396.27554 205.6
[M+CH3COO]- 410.29119 213.8
[M+Na-2H]- 372.25201 188.8
[M]+ 351.27679 192.8
[M]- 351.27789 192.8
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.