CID 86131868

7-ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1h)-one

Structural Information

Molecular Formula
C11H15NO
SMILES
CCC1CC2=C(C1=O)NCCC=C2
InChI
InChI=1S/C11H15NO/c1-2-8-7-9-5-3-4-6-12-10(9)11(8)13/h3,5,8,12H,2,4,6-7H2,1H3
InChIKey
PESXRLFXJXVCHS-UHFFFAOYSA-N
Compound name
7-ethyl-2,3,6,7-tetrahydro-1H-cyclopenta[b]azepin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

177.11537 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 136.8
[M+Na]+ 200.10459 146.0
[M+NH4]+ 195.14919 144.7
[M+K]+ 216.07853 143.0
[M-H]- 176.10809 137.7
[M+Na-2H]- 198.09004 140.8
[M]+ 177.11482 138.2
[M]- 177.11592 138.2
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

patents stripe