CID 57102536

Potassium undecylenoyl glutamate

Structural Information

Molecular Formula
C16H27NO5
SMILES
C=CCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C16H27NO5/c1-2-3-4-5-6-7-8-9-10-14(18)17-13(16(21)22)11-12-15(19)20/h2,13H,1,3-12H2,(H,17,18)(H,19,20)(H,21,22)/t13-/m0/s1
InChIKey
LJAZPAUBUASEMH-ZDUSSCGKSA-N
Compound name
(2S)-2-(undec-10-enoylamino)pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

683
Patents

313.18893 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.19621 178.9
[M+Na]+ 336.17815 180.2
[M-H]- 312.18165 174.6
[M+NH4]+ 331.22275 191.1
[M+K]+ 352.15209 177.8
[M+H-H2O]+ 296.18619 172.2
[M+HCOO]- 358.18713 195.3
[M+CH3COO]- 372.20278 206.5
[M+Na-2H]- 334.16360 175.1
[M]+ 313.18838 180.9
[M]- 313.18948 180.9
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

patents stripe