CID 6437675

68877-11-2

Structural Information

Molecular Formula
C18H31NO5
SMILES
C(CCCC(=O)CCC(=O)O)CC/C=C/CCCCNCC(=O)O
InChI
InChI=1S/C18H31NO5/c20-16(12-13-17(21)22)11-9-7-5-3-1-2-4-6-8-10-14-19-15-18(23)24/h2,4,19H,1,3,5-15H2,(H,21,22)(H,23,24)/b4-2+
InChIKey
ZFKJGMPTSQUGSL-DUXPYHPUSA-N
Compound name
(E)-16-(carboxymethylamino)-4-oxohexadec-11-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

341.2202 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.22748 187.1
[M+Na]+ 364.20942 187.8
[M-H]- 340.21292 182.4
[M+NH4]+ 359.25402 193.9
[M+K]+ 380.18336 184.3
[M+H-H2O]+ 324.21746 179.9
[M+HCOO]- 386.21840 203.9
[M+CH3COO]- 400.23405 211.5
[M+Na-2H]- 362.19487 183.6
[M]+ 341.21965 190.6
[M]- 341.22075 190.6
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.