CID 3047538

63697-52-9

Structural Information

Molecular Formula
C12H19NO
SMILES
C1CCC(CC1)C(=O)N2CCC=CC2
InChI
InChI=1S/C12H19NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h2,5,11H,1,3-4,6-10H2
InChIKey
WLAJTKMPLRCMSD-UHFFFAOYSA-N
Compound name
cyclohexyl(3,6-dihydro-2H-pyridin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.14667 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.15395 146.1
[M+Na]+ 216.13589 148.3
[M-H]- 192.13939 149.5
[M+NH4]+ 211.18049 163.2
[M+K]+ 232.10983 146.3
[M+H-H2O]+ 176.14393 138.1
[M+HCOO]- 238.14487 162.0
[M+CH3COO]- 252.16052 181.8
[M+Na-2H]- 214.12134 148.9
[M]+ 193.14612 137.7
[M]- 193.14722 137.7
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.