CID 4912939

69042-25-7

Structural Information

Molecular Formula
C15H19NO
SMILES
C1CC2C(C1)N(CCC2=O)CC3=CC=CC=C3
InChI
InChI=1S/C15H19NO/c17-15-9-10-16(14-8-4-7-13(14)15)11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2
InChIKey
DNNHYPIBLFCZEZ-UHFFFAOYSA-N
Compound name
1-benzyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.14667 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.15395 153.6
[M+Na]+ 252.13589 159.1
[M-H]- 228.13939 158.8
[M+NH4]+ 247.18049 172.8
[M+K]+ 268.10983 154.9
[M+H-H2O]+ 212.14393 145.8
[M+HCOO]- 274.14487 171.6
[M+CH3COO]- 288.16052 165.0
[M+Na-2H]- 250.12134 155.9
[M]+ 229.14612 148.7
[M]- 229.14722 148.7
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.