CID 21933615

38754-83-5

Structural Information

Molecular Formula
C19H35NO5
SMILES
CCCCCCCCCCCCCC(=O)OC(=O)C(CCC(=O)O)N
InChI
InChI=1S/C19H35NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(23)25-19(24)16(20)14-15-17(21)22/h16H,2-15,20H2,1H3,(H,21,22)
InChIKey
QKDHKQPHVJERMB-UHFFFAOYSA-N
Compound name
4-amino-5-oxo-5-tetradecanoyloxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2089
Patents

357.25153 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.25881 194.3
[M+Na]+ 380.24075 194.6
[M-H]- 356.24425 190.4
[M+NH4]+ 375.28535 198.8
[M+K]+ 396.21469 192.6
[M+H-H2O]+ 340.24879 186.8
[M+HCOO]- 402.24973 200.6
[M+CH3COO]- 416.26538 217.3
[M+Na-2H]- 378.22620 188.4
[M]+ 357.25098 199.0
[M]- 357.25208 199.0
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