CID 44548744

Methyl 3-tetradecanamidopropanoate

Structural Information

Molecular Formula
C18H35NO3
SMILES
CCCCCCCCCCCCCC(=O)NCCC(=O)OC
InChI
InChI=1S/C18H35NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(20)19-16-15-18(21)22-2/h3-16H2,1-2H3,(H,19,20)
InChIKey
RIHVKOIRUPGGDH-UHFFFAOYSA-N
Compound name
methyl 3-(tetradecanoylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

313.2617 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.268976 185.0
[M+Na]+ 336.250918 186.5
[M-H]- 312.254424 183.1
[M+NH4]+ 331.295523 199.3
[M+K]+ 352.224858 184.3
[M+H-H2O]+ 296.258960 177.6
[M+HCOO]- 358.259901 205.0
[M+CH3COO]- 372.275551 212.5
[M+Na-2H]- 334.236366 183.4
[M]+ 313.26115142 191.5
[M]- 313.26224858 191.5
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