CID 83915860

92244-69-4

Structural Information

Molecular Formula
C11H19NO2
SMILES
COC(=O)C1CC2CCCCC2NC1
InChI
InChI=1S/C11H19NO2/c1-14-11(13)9-6-8-4-2-3-5-10(8)12-7-9/h8-10,12H,2-7H2,1H3
InChIKey
PHEFKYSTLHCFSP-UHFFFAOYSA-N
Compound name
methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.14159 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.14887 146.0
[M+Na]+ 220.13081 149.3
[M-H]- 196.13431 146.1
[M+NH4]+ 215.17541 163.9
[M+K]+ 236.10475 147.1
[M+H-H2O]+ 180.13885 139.4
[M+HCOO]- 242.13979 159.3
[M+CH3COO]- 256.15544 181.2
[M+Na-2H]- 218.11626 148.9
[M]+ 197.14104 138.6
[M]- 197.14214 138.6
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.