CID 3086979

2h-azepin-2-one, hexahydro-1-(4-(heptyloxy)butyl)-

Structural Information

Molecular Formula
C17H33NO2
SMILES
CCCCCCCOCCCCN1CCCCCC1=O
InChI
InChI=1S/C17H33NO2/c1-2-3-4-5-10-15-20-16-11-9-14-18-13-8-6-7-12-17(18)19/h2-16H2,1H3
InChIKey
RGXYETTVSYYCIZ-UHFFFAOYSA-N
Compound name
1-(4-heptoxybutyl)azepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.25113 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.25841 167.3
[M+Na]+ 306.24035 167.6
[M-H]- 282.24385 168.2
[M+NH4]+ 301.28495 180.5
[M+K]+ 322.21429 169.2
[M+H-H2O]+ 266.24839 159.5
[M+HCOO]- 328.24933 183.5
[M+CH3COO]- 342.26498 204.0
[M+Na-2H]- 304.22580 167.6
[M]+ 283.25058 165.6
[M]- 283.25168 165.6
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.