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]+ 298.274056 182.8
[M+Na]+ 320.255998 184.1
[M-H]- 296.259504 181.0
[M+NH4]+ 315.300603 197.7
[M+K]+ 336.229938 181.8
[M+H-H2O]+ 280.264040 175.8
[M+HCOO]- 342.264981 201.5
[M+CH3COO]- 356.280631 212.1
[M+Na-2H]- 318.241446 179.8
[M]+ 297.26623142 187.2
[M]- 297.26732858 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.