CID 3059805

77251-46-8

Structural Information

Molecular Formula
C12H17NO
SMILES
C1CC=CC(C1)C(=O)N2CCC=CC2
InChI
InChI=1S/C12H17NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h2-3,5,7,11H,1,4,6,8-10H2
InChIKey
VSQZJIQLUFQBQC-UHFFFAOYSA-N
Compound name
cyclohex-2-en-1-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 144.2
[M+Na]+ 214.120228 147.5
[M-H]- 190.123734 148.0
[M+NH4]+ 209.164833 161.5
[M+K]+ 230.094168 145.3
[M+H-H2O]+ 174.128270 136.2
[M+HCOO]- 236.129211 161.6
[M+CH3COO]- 250.144861 181.4
[M+Na-2H]- 212.105676 148.1
[M]+ 191.13046142 137.3
[M]- 191.13155858 137.3
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.