CID 217388

38770-23-9

Structural Information

Molecular Formula
C15H30N2O2
SMILES
C(CCCCNCCC=O)CCCCNCCC=O
InChI
InChI=1S/C15H30N2O2/c18-14-8-12-16-10-6-4-2-1-3-5-7-11-17-13-9-15-19/h14-17H,1-13H2
InChIKey
IDYPQXBRTWITSH-UHFFFAOYSA-N
Compound name
3-[9-(3-oxopropylamino)nonylamino]propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.23074 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.238016 169.0
[M+Na]+ 293.219958 171.2
[M-H]- 269.223464 167.4
[M+NH4]+ 288.264563 184.7
[M+K]+ 309.193898 168.2
[M+H-H2O]+ 253.228000 161.6
[M+HCOO]- 315.228941 192.7
[M+CH3COO]- 329.244591 206.4
[M+Na-2H]- 291.205406 171.9
[M]+ 270.23019142 173.5
[M]- 270.23128858 173.5
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.