CID 18427123

Myristoyl methyl beta-alanine

Structural Information

Molecular Formula
C18H35NO3
SMILES
CCCCCCCCCCCCCC(=O)N(C)CCC(=O)O
InChI
InChI=1S/C18H35NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(20)19(2)16-15-18(21)22/h3-16H2,1-2H3,(H,21,22)
InChIKey
DCVMAYAWOPBYKB-UHFFFAOYSA-N
Compound name
3-[methyl(tetradecanoyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

432
Patents

313.2617 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.26898 182.8
[M+Na]+ 336.25092 188.3
[M+NH4]+ 331.29552 187.0
[M+K]+ 352.22486 182.7
[M-H]- 312.25442 180.4
[M+Na-2H]- 334.23637 181.8
[M]+ 313.26115 182.3
[M]- 313.26225 182.3
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