CID 106955

Einecs 267-671-1

Structural Information

Molecular Formula
C18H35NO2
SMILES
CCCCCCCCC(C)CCNCCOC(=O)C(=C)C
InChI
InChI=1S/C18H35NO2/c1-5-6-7-8-9-10-11-17(4)12-13-19-14-15-21-18(20)16(2)3/h17,19H,2,5-15H2,1,3-4H3
InChIKey
TVZYQAQDHXWCER-UHFFFAOYSA-N
Compound name
2-(3-methylundecylamino)ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.26678 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.27406 182.8
[M+Na]+ 320.25600 184.1
[M-H]- 296.25950 181.0
[M+NH4]+ 315.30060 197.7
[M+K]+ 336.22994 181.8
[M+H-H2O]+ 280.26404 175.8
[M+HCOO]- 342.26498 201.5
[M+CH3COO]- 356.28063 212.1
[M+Na-2H]- 318.24145 179.8
[M]+ 297.26623 187.2
[M]- 297.26733 187.2
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.