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]+ 166.122646 133.6
[M+Na]+ 188.104588 139.0
[M-H]- 164.108094 136.4
[M+NH4]+ 183.149193 153.8
[M+K]+ 204.078528 139.2
[M+H-H2O]+ 148.112630 128.4
[M+HCOO]- 210.113571 151.2
[M+CH3COO]- 224.129221 145.6
[M+Na-2H]- 186.090036 136.9
[M]+ 165.11482142 126.3
[M]- 165.11591858 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.