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]+ 284.258406 167.3
[M+Na]+ 306.240348 167.6
[M-H]- 282.243854 168.2
[M+NH4]+ 301.284953 180.5
[M+K]+ 322.214288 169.2
[M+H-H2O]+ 266.248390 159.5
[M+HCOO]- 328.249331 183.5
[M+CH3COO]- 342.264981 204.0
[M+Na-2H]- 304.225796 167.6
[M]+ 283.25058142 165.6
[M]- 283.25167858 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.