CID 86131865

7-ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1h)-one

Structural Information

Molecular Formula
C11H17NO
SMILES
CCC1CC2=C(C1=O)NCCCC2
InChI
InChI=1S/C11H17NO/c1-2-8-7-9-5-3-4-6-12-10(9)11(8)13/h8,12H,2-7H2,1H3
InChIKey
RXFDRMNPYAIRFJ-UHFFFAOYSA-N
Compound name
7-ethyl-2,3,4,5,6,7-hexahydro-1H-cyclopenta[b]azepin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.13101 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.138286 138.1
[M+Na]+ 202.120228 143.0
[M-H]- 178.123734 140.6
[M+NH4]+ 197.164833 157.7
[M+K]+ 218.094168 143.0
[M+H-H2O]+ 162.128270 132.6
[M+HCOO]- 224.129211 155.3
[M+CH3COO]- 238.144861 181.2
[M+Na-2H]- 200.105676 140.8
[M]+ 179.13046142 131.1
[M]- 179.13155858 131.1
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.