CID 107081

10-undecenoic acid, 2-amino-1-methylethyl ester

Structural Information

Molecular Formula
C14H27NO2
SMILES
CC(CN)OC(=O)CCCCCCCCC=C
InChI
InChI=1S/C14H27NO2/c1-3-4-5-6-7-8-9-10-11-14(16)17-13(2)12-15/h3,13H,1,4-12,15H2,2H3
InChIKey
VJHCSIJGIDREPD-UHFFFAOYSA-N
Compound name
1-aminopropan-2-yl undec-10-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.20418 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.21146 162.8
[M+Na]+ 264.19340 169.6
[M+NH4]+ 259.23800 168.2
[M+K]+ 280.16734 163.8
[M-H]- 240.19690 161.1
[M+Na-2H]- 262.17885 163.1
[M]+ 241.20363 162.8
[M]- 241.20473 162.8
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.