CID 29779

1-ethylazepan-2-one

Structural Information

Molecular Formula
C8H15NO
SMILES
CCN1CCCCCC1=O
InChI
InChI=1S/C8H15NO/c1-2-9-7-5-3-4-6-8(9)10/h2-7H2,1H3
InChIKey
GWCFTYITFDWLAY-UHFFFAOYSA-N
Compound name
1-ethylazepan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1688
Patents

141.11537 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 125.1
[M+Na]+ 164.10459 129.1
[M-H]- 140.10809 127.8
[M+NH4]+ 159.14919 143.9
[M+K]+ 180.07853 132.4
[M+H-H2O]+ 124.11263 119.3
[M+HCOO]- 186.11357 144.1
[M+CH3COO]- 200.12922 176.6
[M+Na-2H]- 162.09004 130.1
[M]+ 141.11482 119.0
[M]- 141.11592 119.0
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