CID 6428974

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

Structural Information

Molecular Formula
C9H13NO
SMILES
C1CCNC2=C(C1)CCC2=O
InChI
InChI=1S/C9H13NO/c11-8-5-4-7-3-1-2-6-10-9(7)8/h10H,1-6H2
InChIKey
XZTJVKYWRODILK-UHFFFAOYSA-N
Compound name
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

12
Patents

151.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 130.2
[M+Na]+ 174.08894 138.5
[M+NH4]+ 169.13354 138.3
[M+K]+ 190.06288 136.0
[M-H]- 150.09244 130.9
[M+Na-2H]- 172.07439 134.1
[M]+ 151.09917 131.3
[M]- 151.10027 131.3
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