CID 85267

Einecs 240-214-3

Structural Information

Molecular Formula
C14H24N2O2
SMILES
CC(=C)C(=O)NCCCCCCNC(=O)C(=C)C
InChI
InChI=1S/C14H24N2O2/c1-11(2)13(17)15-9-7-5-6-8-10-16-14(18)12(3)4/h1,3,5-10H2,2,4H3,(H,15,17)(H,16,18)
InChIKey
YBKWKURHPIBUEM-UHFFFAOYSA-N
Compound name
2-methyl-N-[6-(2-methylprop-2-enoylamino)hexyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3998
Patents

252.18378 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.191056 166.0
[M+Na]+ 275.172998 168.6
[M-H]- 251.176504 165.2
[M+NH4]+ 270.217603 182.2
[M+K]+ 291.146938 166.7
[M+H-H2O]+ 235.181040 159.5
[M+HCOO]- 297.181981 186.5
[M+CH3COO]- 311.197631 203.6
[M+Na-2H]- 273.158446 164.2
[M]+ 252.18323142 165.9
[M]- 252.18432858 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe