CID 6428981

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

Structural Information

Molecular Formula
C10H15NO
SMILES
CC1CC2=C(C1=O)NCCCC2
InChI
InChI=1S/C10H15NO/c1-7-6-8-4-2-3-5-11-9(8)10(7)12/h7,11H,2-6H2,1H3
InChIKey
RYGXXXQBRORLIJ-UHFFFAOYSA-N
Compound name
7-methyl-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

165.11537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 133.6
[M+Na]+ 188.10459 139.0
[M-H]- 164.10809 136.4
[M+NH4]+ 183.14919 153.8
[M+K]+ 204.07853 139.2
[M+H-H2O]+ 148.11263 128.4
[M+HCOO]- 210.11357 151.2
[M+CH3COO]- 224.12922 145.6
[M+Na-2H]- 186.09004 136.9
[M]+ 165.11482 126.3
[M]- 165.11592 126.3
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

No patent data available for this compound.