CID 3024074

Einecs 303-893-8

Structural Information

Molecular Formula
C15H26N2O
SMILES
CC(=O)NCC1CCCN1CC=C2CCCCC2
InChI
InChI=1S/C15H26N2O/c1-13(18)16-12-15-8-5-10-17(15)11-9-14-6-3-2-4-7-14/h9,15H,2-8,10-12H2,1H3,(H,16,18)
InChIKey
UUHGJCCGHYMHLO-UHFFFAOYSA-N
Compound name
N-[[1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.20451 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.211786 164.4
[M+Na]+ 273.193728 165.7
[M-H]- 249.197234 167.6
[M+NH4]+ 268.238333 181.0
[M+K]+ 289.167668 162.5
[M+H-H2O]+ 233.201770 156.1
[M+HCOO]- 295.202711 181.2
[M+CH3COO]- 309.218361 195.3
[M+Na-2H]- 271.179176 162.8
[M]+ 250.20396142 156.7
[M]- 250.20505858 156.7
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.